2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid

C13H9ClN2O3 — CID 63654258

IUPAC2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O3/c14-9-5-3-8(4-6-9)12(17)16-11-10(13(18)19)2-1-7-15-11/h1-7H,(H,18,19)(H,15,16,17)
InChIKeyUFNKXMQOQLVOAI-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.69
Rot. Bonds3

About 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid

2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 63654258) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID63654258
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
SMILESO=C(Nc1ncccc1C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O3/c14-9-5-3-8(4-6-9)12(17)16-11-10(13(18)19)2-1-7-15-11/h1-7H,(H,18,19)(H,15,16,17)
InChIKeyUFNKXMQOQLVOAI-UHFFFAOYSA-N
XLogP2.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-[(3-bromo-4-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 107949182
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
2-[(4-bromo-3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653566
2-[(3-fluoro-4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 63653746
2-[(2,4-dichloro-5-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63653408
2-[(2-chloro-5-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 106500292
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]pyridine-3-carboxylic acid
CID 63651994
2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid
CID 63652531
2-[(2-methoxypyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63654787

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid (CID 63654258) is 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid is O=C(Nc1ncccc1C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is UFNKXMQOQLVOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-9-5-3-8(4-6-9)12(17)16-11-10(13(18)19)2-1-7-15-11/h1-7H,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid?
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 276.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63654258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).