2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid

C13H8ClFN2O3 — CID 62239394

IUPAC2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1cccc(Cl)n1
InChIInChI=1S/C13H8ClFN2O3/c14-11-3-1-2-9(16-11)12(18)17-10-6-7(15)4-5-8(10)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyNUTXVTWAPWXHBY-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.82
Rot. Bonds3

About 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid

2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid (PubChem CID 62239394) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
PubChem CID62239394
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)c1cccc(Cl)n1
InChIInChI=1S/C13H8ClFN2O3/c14-11-3-1-2-9(16-11)12(18)17-10-6-7(15)4-5-8(10)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyNUTXVTWAPWXHBY-UHFFFAOYSA-N
XLogP2.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.67
LogP ≤ 52.82
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-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
6-chloro-N-(5-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 63236254
4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid
CID 172761884
2-[(6-fluoropyridine-2-carbonyl)amino]-4-methoxybenzoic acid
CID 115496535
2-[(2-bromo-3-fluorobenzoyl)amino]-4-fluorobenzoic acid
CID 81498319
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62239229
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
4-fluoro-2-[(5-fluoro-2-methylbenzoyl)amino]benzoic acid
CID 62033554
4-fluoro-2-(1,2-oxazole-5-carbonylamino)benzoic acid
CID 28779104
6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 63035993
2-[(3-bromo-4-chlorobenzoyl)amino]-4-fluorobenzoic acid
CID 107997720
2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55249925

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid (CID 62239394) is 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid is O=C(Nc1cc(F)ccc1C(=O)O)c1cccc(Cl)n1.
What is the InChIKey of 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid?
The InChIKey is NUTXVTWAPWXHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-11-3-1-2-9(16-11)12(18)17-10-6-7(15)4-5-8(10)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid?
2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid has a molecular weight of 294.67 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyridine-2-carbonyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 62239394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).