4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid

C13H8Cl2N2O3 — CID 45436123

IUPAC4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H8Cl2N2O3/c14-7-3-4-8(13(19)20)10(6-7)17-12(18)9-2-1-5-16-11(9)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyLNOQSJAPVLEZBH-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.34
Rot. Bonds3

About 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid

4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid (PubChem CID 45436123) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
PubChem CID45436123
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(Cl)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C13H8Cl2N2O3/c14-7-3-4-8(13(19)20)10(6-7)17-12(18)9-2-1-5-16-11(9)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyLNOQSJAPVLEZBH-UHFFFAOYSA-N
XLogP3.34
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 9182555
3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 103791300
4-chloro-2-[(2-nitrobenzoyl)amino]benzoic acid
CID 45436116
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
4-chloro-2-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500157
2-[(5-chloro-2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 82881193

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid (CID 45436123) is 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid is O=C(O)c1ccc(Cl)cc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is LNOQSJAPVLEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-7-3-4-8(13(19)20)10(6-7)17-12(18)9-2-1-5-16-11(9)15/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 311.12 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 45436123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).