4-(pyridin-3-ylamino)benzoic acid

C12H10N2O2 — CID 62231528

IUPAC4-(pyridin-3-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cccnc2)cc1
InChIInChI=1S/C12H10N2O2/c15-12(16)9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8,14H,(H,15,16)
InChIKeyMUIFAEIHXHXFAH-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.52
Rot. Bonds3

About 4-(pyridin-3-ylamino)benzoic acid

4-(pyridin-3-ylamino)benzoic acid (PubChem CID 62231528) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(pyridin-3-ylamino)benzoic acid.

Molecular Properties

Compound Name4-(pyridin-3-ylamino)benzoic acid
PubChem CID62231528
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(pyridin-3-ylamino)benzoic acid
SMILESO=C(O)c1ccc(Nc2cccnc2)cc1
InChIInChI=1S/C12H10N2O2/c15-12(16)9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8,14H,(H,15,16)
InChIKeyMUIFAEIHXHXFAH-UHFFFAOYSA-N
XLogP2.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(pyridin-3-ylamino)benzoic acid
CID 82536002
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
4-(1,3,5-triazin-2-ylamino)benzoic acid
CID 54070547
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
2-(oxaloamino)-4-(pyridin-3-ylamino)benzoic acid
CID 70244357
nickel;pyridine-3-carboxylic acid
CID 174049937
CID 157283677
CID 157283677
N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine
CID 166062269

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylamino)benzoic acid?
The IUPAC name of 4-(pyridin-3-ylamino)benzoic acid (CID 62231528) is 4-(pyridin-3-ylamino)benzoic acid.
What is the SMILES notation for 4-(pyridin-3-ylamino)benzoic acid?
The canonical SMILES for 4-(pyridin-3-ylamino)benzoic acid is O=C(O)c1ccc(Nc2cccnc2)cc1.
What is the InChIKey of 4-(pyridin-3-ylamino)benzoic acid?
The InChIKey is MUIFAEIHXHXFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12(16)9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8,14H,(H,15,16).
What are the key properties of 4-(pyridin-3-ylamino)benzoic acid?
4-(pyridin-3-ylamino)benzoic acid has a molecular weight of 214.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylamino)benzoic acid is sourced from PubChem (CID 62231528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).