2,6-Pyridinedicarboxylic acid

Details

• Internal ID: 77e77b0f-ab6b-4d0c-951f-f8e68cc6e86e
• Taxonomy: Organoheterocyclic compounds > Pyridines and derivatives > Pyridinecarboxylic acids and derivatives > Pyridinecarboxylic acids
• IUPAC Name: pyridine-2,6-dicarboxylic acid
• SMILES (Canonical): C1=CC(=NC(=C1)C(=O)O)C(=O)O
• SMILES (Isomeric): C1=CC(=NC(=C1)C(=O)O)C(=O)O
• InChI: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
• InChI Key: WJJMNDUMQPNECX-UHFFFAOYSA-N
• Popularity: 2,500 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₅NO₄
• Molecular Weight: 167.12 g/mol
• Exact Mass: 167.02185764 g/mol
• Topological Polar Surface Area (TPSA): 87.50 Ų
• XlogP: 0.60

Synonyms

• 499-83-2
• PYRIDINE-2,6-DICARBOXYLIC ACID
• Dipicolinic acid
• 2,6-Dipicolinic acid
• Dipicolinate
• 2,6-Dicarboxypyridine
• 2,6-pyridinedicarboxylate
• MFCD00006299
• UE81S5CQ0G
• CHEMBL284104
• DTXSID7022043
• CHEBI:46837
• NSC-176
• 2,6-Pyridinedicarboxylic acid, 99%
• NSC 176
• EINECS 207-894-3
• UNII-UE81S5CQ0G
• 2,6-pyridine dicarboxylic acid
• pyridine-2
• pydcH2
• 4ih3
• pyridine carboxylate, 6d
• Oprea1_533632
• SCHEMBL34595
• 2,6-DIPICLINIC ACID
• MLS000080748
• 6-CARBOXYPICOLINIC ACID
• DTXCID602043
• IFLab1_001781
• NSC176
• Dipicolinic acid, Beauveria sp.
• BDBM26116
• 2,6-DI-CARBOXY-PYRIDINE
• Pyridinedicarboxylic acid-(2,6)
• HMS1417A21
• HMS2231H20
• HY-Y1024
• Tox21_301129
• AC-704
• CCG-44216
• CL0252
• PYRIDINE-2,6-DICARBOXYLICACID
• 2,6-DICARBOXYPYRIDINE [INCI]
• AKOS000112829
• AM82010
• DB04267
• PS-8736
• NCGC00071864-02
• NCGC00255028-01
• CAS-499-83-2
• SMR000034075
• SY001460
• A7431
• CS-0016012
• EU-0033484
• FT-0610741
• P0554
• EN300-18133
• Q417164
• 2,6-Pyridinedicarboxylic acid-2,6-dipicolinic acid
• SR-01000600024-2
• W-105996
• L-042,134
• Z57202012
• B63A70CE-B9AB-4EA2-834A-6C7634226BB0
• F0451-0137
• 2,6-Pyridinedicarboxylic acid, for ion chromatography, >=99.5% (T)
• InChI=1/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12

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	91.55%	81.11%
CHEMBL1811	P34995	Prostanoid EP1 receptor	90.57%	95.71%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.74%	99.23%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.52%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.03%	86.33%
CHEMBL1293294	P51151	Ras-related protein Rab-9A	83.72%	87.67%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	82.67%	94.62%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	80.54%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 10367
• LOTUS: LTS0069297
• wikiData: Q417164