6-Hydroxynicotinic acid

Details

• Internal ID: 3d315ece-dc66-4e1d-99d9-a858d829f460
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids
• IUPAC Name: 6-oxo-1H-pyridine-3-carboxylic acid
• SMILES (Canonical): C1=CC(=O)NC=C1C(=O)O
• SMILES (Isomeric): C1=CC(=O)NC=C1C(=O)O
• InChI: InChI=1S/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
• InChI Key: BLHCMGRVFXRYRN-UHFFFAOYSA-N
• Popularity: 182 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₅NO₃
• Molecular Weight: 139.11 g/mol
• Exact Mass: 139.026943022 g/mol
• Topological Polar Surface Area (TPSA): 66.40 Ų
• XlogP: -0.50

Synonyms

• 5006-66-6
• 6-hydroxypyridine-3-carboxylic acid
• 2-Hydroxy-5-pyridinecarboxylic acid
• 6-Hydroxy nicotinic acid
• 6-Hydroxynicotinate
• 2-Pyridone-5-carboxylic acid
• 2-Hydroxypyridine-5-carboxylic acid
• 6-oxo-1,6-dihydropyridine-3-carboxylic acid
• 6-Hydroxy-nicotinic acid
• 3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-
• 6-hydroxyniacin
• 6-oxo-1H-pyridine-3-carboxylic acid
• 1,6-Dihydro-6-oxo-3-pyridinecarboxylic acid
• Nicotinic acid, 1,6-dihydro-6-oxo-
• Nicotinic acid-6-hydroxy
• MFCD00006277
• DTXSID0057754
• CHEBI:16168
• 15864-85-4
• 8PLJ71N310
• NSC-8620
• 6-Hydroxy-3-pyridinecarboxylic Acid
• NSC-35054
• NSC-53377
• Nicotinic acid,6-dihydro-6-oxo-
• 6-oxonicotinic acid
• 3-Pyridinecarboxylic acid,6-dihydro-6-oxo-
• UNII-8PLJ71N310
• NSC 8620
• EINECS 225-682-9
• NSC 35054
• NSC 53377
• 5-Carboxy-2-pyridone
• 6-hydroxynicotinic-acid
• 6-hydroxynicotinoic acid
• AI3-52404
• 6-Oxo-1,6-dihydro-3-pyridinecarboxylic acid
• bmse000341
• 2-Hydroxy-5-carboxypyridine
• Oprea1_846558
• CHEMBL95293
• SCHEMBL185991
• DTXCID1031543
• NSC8620
• Pyridin-2-one-5-carboxylic acid
• 1,6-dihydro-6-oxo-Nicotinic acid
• 2-hydroxy 5-pyridinecarboxylic acid
• NSC35054
• NSC53377
• Tox21_113747
• CX1100
• MFCD00229359
• s6285
• 2-hydroxy 5-pyridine carboxylic acid
• 2-hydroxy-5-pyridine carboxylic acid
• 6-hydroxy-pyridine-3-carboxylic acid
• AKOS000120093
• AKOS000319907
• 3-Pyridinecarboxylic acid, 6-hydroxy-
• AC-1470
• BS-3788
• CS-W001996
• HY-W001996
• PB17040
• NCGC00253617-01
• 6-HYDROXYNICOTINIC ACID [USP-RS]
• PD124003
• SY004348
• 6-Hydroxypyridine-3-carboxylic acid, 98%
• CAS-5006-66-6
• 6-oxo-1,6-dihydropyridin-3-carboxylic acid
• A7440
• AM20061258
• FT-0621169
• FT-0653628
• FT-0659077
• H0633
• EN300-21525
• Nicotinic acid, 1,6-dihydro-6-oxo- (8CI)
• C01020
• P10104
• 6-Oxo-1,6-dihydro-3-pyridinecarboxylic acid #
• SR-01000945209
• J-518800
• SR-01000945209-1
• W-105987
• Q27098413
• 6-Hydroxypyridine-3-carboxylic acid, analytical standard
• B2F6EEE5-0370-41FB-B64F-DAE3FD083896
• F2124-1179
• F2190-0003
• Z104500708
• 6-Hydroxynicotinic acid, United States Pharmacopeia (USP) Reference Standard
• OA7

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1293277	O15118	Niemann-Pick C1 protein	88.96%	81.11%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	86.53%	87.67%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.18%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.47%	86.33%
CHEMBL3194	P02766	Transthyretin	83.16%	90.71%
CHEMBL4208	P20618	Proteasome component C5	82.83%	90.00%
CHEMBL2581	P07339	Cathepsin D	81.88%	98.95%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 72924
• LOTUS: LTS0201057
• wikiData: Q27098413