3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid

C13H8Cl2N2O3 — CID 103791300

IUPAC3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-8-4-7(13(19)20)5-9(6-8)17-12(18)10-2-1-3-16-11(10)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyGHELYIBVZVGKPF-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.34
Rot. Bonds3

About 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid

3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid (PubChem CID 103791300) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
PubChem CID103791300
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cc(Cl)cc(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C13H8Cl2N2O3/c14-8-4-7(13(19)20)5-9(6-8)17-12(18)10-2-1-3-16-11(10)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyGHELYIBVZVGKPF-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

3-chloro-5-[(2-chlorobenzoyl)amino]benzoic acid
CID 81361883
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
3-[(2-chloropyridine-3-carbonyl)amino]-4-hydroxybenzoic acid
CID 9182555
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
3-chloro-5-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107688176
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368
2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide
CID 60704758
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid (CID 103791300) is 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid is O=C(O)c1cc(Cl)cc(NC(=O)c2cccnc2Cl)c1.
What is the InChIKey of 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is GHELYIBVZVGKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-8-4-7(13(19)20)5-9(6-8)17-12(18)10-2-1-3-16-11(10)15/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid?
3-chloro-5-[(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 3-chloro-5-[(2-chloropyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 103791300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).