6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid

C13H12N2O3 — CID 13227966

IUPAC6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid
SMILESCc1nc(Nc2ccccc2)cc(C(=O)O)c1O
InChIInChI=1S/C13H12N2O3/c1-8-12(16)10(13(17)18)7-11(14-8)15-9-5-3-2-4-6-9/h2-7,16H,1H3,(H,14,15)(H,17,18)
InChIKeySJGDYAJLCUDUEU-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.54
Rot. Bonds3

About 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid

6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid (PubChem CID 13227966) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid
PubChem CID13227966
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid
SMILESCc1nc(Nc2ccccc2)cc(C(=O)O)c1O
InChIInChI=1S/C13H12N2O3/c1-8-12(16)10(13(17)18)7-11(14-8)15-9-5-3-2-4-6-9/h2-7,16H,1H3,(H,14,15)(H,17,18)
InChIKeySJGDYAJLCUDUEU-UHFFFAOYSA-N
XLogP2.54
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2-(4-iodoanilino)quinoline-4-carboxylic acid
CID 43154791
2-anilino-4,6-dimethylpyrimidin-5-ol
CID 45097442
6-(4-bromo-3,5-dimethylanilino)-2-methylpyridine-3-carboxylic acid
CID 107575455
6-anilino-2-ethylpyrimidine-4-carboxylic acid
CID 82293665
2-[[6-(3-bromoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194948
2-[[2-methyl-6-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113194903
2-[[6-(3,5-dichloroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194958
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
4-anilino-6-methyl-1H-pyrimidin-2-one
CID 13063757
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
2-(4-anilino-6-methylpyrimidin-2-yl)sulfanylacetic acid
CID 82017684

Frequently Asked Questions

What is the IUPAC name of 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid?
The IUPAC name of 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid (CID 13227966) is 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid?
The canonical SMILES for 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid is Cc1nc(Nc2ccccc2)cc(C(=O)O)c1O.
What is the InChIKey of 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid?
The InChIKey is SJGDYAJLCUDUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-12(16)10(13(17)18)7-11(14-8)15-9-5-3-2-4-6-9/h2-7,16H,1H3,(H,14,15)(H,17,18).
What are the key properties of 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid?
6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-3-hydroxy-2-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 13227966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).