2-Hydroxypyridine

Details

• Internal ID: efb7b9b7-7a20-4c99-8744-cfc247cb3770
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Hydropyridines > Pyridinones
• IUPAC Name: 1H-pyridin-2-one
• SMILES (Canonical): C1=CC(=O)NC=C1
• SMILES (Isomeric): C1=CC(=O)NC=C1
• InChI: InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
• InChI Key: UBQKCCHYAOITMY-UHFFFAOYSA-N
• Popularity: 3,199 references in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₅NO
• Molecular Weight: 95.10 g/mol
• Exact Mass: 95.037113783 g/mol
• Topological Polar Surface Area (TPSA): 29.10 Ų
• XlogP: -0.60
• Atomic LogP (AlogP): 0.37
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Rotatable Bonds: 0

Synonyms

• Pyridin-2-ol
• 142-08-5
• 2-Pyridinol
• 2-Pyridone
• pyridin-2(1H)-one
• 72762-00-6
• 2(1H)-Pyridinone
• 1H-pyridin-2-one
• 2-Pyridinone
• 2(1H)-Pyridone
• Pyridinone
• alpha-Pyridone
• 2-Oxopyridine
• pyridin-2-one
• Pyridone-2
• 2-hydroxy pyridine
• .alpha.-Pyridone
• 2(lH)-Pyridinone
• Pyridone-2 [French]
• Pyridinol
• Levetiracetam Impurity C
• 2-Pyridol
• CHEBI:16540
• 1-Hydroxy-2-pyridine
• EINECS 205-520-3
• 1~{H}-pyridin-2-one
• CHEMBL662
• 1,2-dihydropyridin-2-one
• NSC 172522
• AI3-19236
• SR-1C9
• DTXSID2051716
• UNII-6770O3A2I5
• EINECS 276-824-1
• MFCD00006268
• NSC172522
• 6770O3A2I5
• NSC-172522
• Hydroxypyridine
• pyrdinone
• hydroxylpyridine
• alpha -pyridone
• hydroxy-pyridine
• pyridinyl alcohol
• 2-hyroxypyridine
• 2-hydroxypryidine
• lH-2-pyridone
• Oc1ccccn1
• pyrid-2-one
• 2-pyridyl alcohol
• 2-hydroxy-pyridine
• HRZ
• T5Y
• (1H)-pyridone
• 2-hydroxyl pyridine
• pyridin2(1h)-one
• 1H-2-Pyridone
• 2H-pyridin-2-one
• 2-(1H)-pyridone
• 1-H-pyridin-2-one
• pyridin-2 (1h)-one
• 1,2-dihydro-oxopyridine
• 930-70-1
• 2(1H)-Pyridone, dimer
• 2-Hydroxypyridine, 97%
• HYDROXYPYRIDINE, 2-
• DTXCID2030271
• 2-Pyridinol (ACD/Name 4.0)
• Tox21_303883
• BBL027571
• BDBM50538683
• MFCD00462283
• NSC176167
• s6360
• STL146648
• 2-Hydroxypyridine, analytical standard
• AKOS000119122
• AKOS016352898
• CS-T-28589
• NSC-176167
• SB52270
• SB52273
• NCGC00357141-01
• 37342-64-6
• 66396-89-2
• CAS-142-08-5
• PD144419
• LS-133821
• AM20061675
• FT-0612635
• FT-0654997
• H0330
• EN300-21469
• LEVETIRACETAM IMPURITY C [EP IMPURITY]
• 2-Hydroxypyridine, purum, >=97.0% (HPLC)
• C02502
• D87632
• P20525
• A837610
• A929205
• AC-907/25014059
• Q209474
• W-108179
• F1995-0210
• Z1245646663
• LEVETIRACETAM IMPURITY, PYRIDIN-2-OL- [USP IMPURITY]
• B910DA2F-8676-4873-9F5A-7A9091749198
• Levetiracetam impurity C, European Pharmacopoeia (EP) Reference Standard
• 27341-45-3

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
Human Intestinal Absorption	+	0.9971	99.71%
Caco-2	+	0.6483	64.83%
Blood Brain Barrier	+	0.9250	92.50%
Human oral bioavailability	+	0.7286	72.86%
Subcellular localzation	Mitochondria	0.6334	63.34%
OATP2B1 inhibitior	-	1.0000	100.00%
OATP1B1 inhibitior	+	0.9723	97.23%
OATP1B3 inhibitior	+	0.9637	96.37%
MATE1 inhibitior	-	0.9600	96.00%
OCT2 inhibitior	-	1.0000	100.00%
BSEP inhibitior	-	0.9252	92.52%
P-glycoprotein inhibitior	-	0.9919	99.19%
P-glycoprotein substrate	-	0.9902	99.02%
CYP3A4 substrate	-	0.7835	78.35%
CYP2C9 substrate	-	1.0000	100.00%
CYP2D6 substrate	-	0.8709	87.09%
CYP3A4 inhibition	-	0.9793	97.93%
CYP2C9 inhibition	-	0.9765	97.65%
CYP2C19 inhibition	-	0.9763	97.63%
CYP2D6 inhibition	-	0.9489	94.89%
CYP1A2 inhibition	-	0.6855	68.55%
CYP2C8 inhibition	-	0.9786	97.86%
CYP inhibitory promiscuity	-	0.9696	96.96%
UGT catelyzed	-	0.0000	0.00%
Carcinogenicity (binary)	-	0.7623	76.23%
Carcinogenicity (trinary)	Non-required	0.5761	57.61%
Eye corrosion	-	0.7645	76.45%
Eye irritation	+	0.9949	99.49%
Skin irritation	+	0.8059	80.59%
Skin corrosion	-	0.9184	91.84%
Ames mutagenesis	-	0.7900	79.00%
Human Ether-a-go-go-Related Gene inhibition	-	0.8445	84.45%
Micronuclear	+	0.6200	62.00%
Hepatotoxicity	+	0.5625	56.25%
skin sensitisation	-	0.5543	55.43%
Respiratory toxicity	-	0.5889	58.89%
Reproductive toxicity	+	0.5667	56.67%
Mitochondrial toxicity	-	0.5375	53.75%
Nephrotoxicity	+	0.5257	52.57%
Acute Oral Toxicity (c)	III	0.7672	76.72%
Estrogen receptor binding	-	0.9713	97.13%
Androgen receptor binding	-	0.9344	93.44%
Thyroid receptor binding	-	0.8399	83.99%
Glucocorticoid receptor binding	-	0.8545	85.45%
Aromatase binding	-	0.8959	89.59%
PPAR gamma	-	0.8792	87.92%
Honey bee toxicity	-	0.9399	93.99%
Biodegradation	+	0.6000	60.00%
Crustacea aquatic toxicity	+	0.5800	58.00%
Fish aquatic toxicity	-	0.9277	92.77%

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.87%	95.56%
CHEMBL2581	P07339	Cathepsin D	90.99%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.75%	91.11%

Plants that contains it

• Arabidopsis thaliana
• Lotus corniculatus subsp. corniculatus
• Lotus tenuis
• Medicago sativa
• Pogostemon cablin
• Salvia divinorum

Cross-Links

• PubChem: 8871
• NPASS: NPC151489
• LOTUS: LTS0274697
• wikiData: Q209474