4-(3-hydroxyanilino)pyridine-3-carboxylic acid

C12H10N2O3 — CID 115037604

IUPAC4-(3-hydroxyanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1cccc(O)c1
InChIInChI=1S/C12H10N2O3/c15-9-3-1-2-8(6-9)14-11-4-5-13-7-10(11)12(16)17/h1-7,15H,(H,13,14)(H,16,17)
InChIKeyKOEQFFMNGYYIGG-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.23
Rot. Bonds3

About 4-(3-hydroxyanilino)pyridine-3-carboxylic acid

4-(3-hydroxyanilino)pyridine-3-carboxylic acid (PubChem CID 115037604) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 4-(3-hydroxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyanilino)pyridine-3-carboxylic acid
PubChem CID115037604
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name4-(3-hydroxyanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1Nc1cccc(O)c1
InChIInChI=1S/C12H10N2O3/c15-9-3-1-2-8(6-9)14-11-4-5-13-7-10(11)12(16)17/h1-7,15H,(H,13,14)(H,16,17)
InChIKeyKOEQFFMNGYYIGG-UHFFFAOYSA-N
XLogP2.23
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 81232442
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
3-[(4-nitro-3-pyridinyl)amino]phenol
CID 22164899
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244152
4-[4-bromo-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244664
3-(pyridin-4-ylamino)phenol
CID 13098457
4-(2,4,5-trifluoroanilino)pyridine-3-carboxylic acid
CID 81243645
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
4-(2,6-dichloro-4-fluoroanilino)pyridine-3-carboxylic acid
CID 83079420

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3-hydroxyanilino)pyridine-3-carboxylic acid (CID 115037604) is 4-(3-hydroxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyanilino)pyridine-3-carboxylic acid is O=C(O)c1cnccc1Nc1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyanilino)pyridine-3-carboxylic acid?
The InChIKey is KOEQFFMNGYYIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-9-3-1-2-8(6-9)14-11-4-5-13-7-10(11)12(16)17/h1-7,15H,(H,13,14)(H,16,17).
What are the key properties of 4-(3-hydroxyanilino)pyridine-3-carboxylic acid?
4-(3-hydroxyanilino)pyridine-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 115037604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).