2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid

C13H8ClFN2O3 — CID 115496435

IUPAC2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1C(=O)O)c1cccc(F)n1
InChIInChI=1S/C13H8ClFN2O3/c14-7-3-1-4-8(11(7)13(19)20)17-12(18)9-5-2-6-10(15)16-9/h1-6H,(H,17,18)(H,19,20)
InChIKeyBXHNZYUQBQLNEH-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.82
Rot. Bonds3

About 2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid

2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid (PubChem CID 115496435) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
PubChem CID115496435
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1C(=O)O)c1cccc(F)n1
InChIInChI=1S/C13H8ClFN2O3/c14-7-3-1-4-8(11(7)13(19)20)17-12(18)9-5-2-6-10(15)16-9/h1-6H,(H,17,18)(H,19,20)
InChIKeyBXHNZYUQBQLNEH-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

N-(2-bromo-3-chlorophenyl)-6-fluoropyridine-2-carboxamide
CID 103478796
2-chloro-6-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371540
N-(4-chloro-2-fluorophenyl)-6-fluoropyridine-2-carboxamide
CID 113323409
4-fluoro-3-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496348
3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496426
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
N-(6-chloro-2-methyl-3-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 107301196
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
2-chloro-6-[(4-methoxybenzoyl)amino]benzoic acid
CID 63722745
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6-fluoropyridine-2-carboxamide
CID 115497158
2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 63724956
2-[(2-aminobenzoyl)amino]-6-chlorobenzoic acid
CID 63722942

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid (CID 115496435) is 2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid is O=C(Nc1cccc(Cl)c1C(=O)O)c1cccc(F)n1.
What is the InChIKey of 2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid?
The InChIKey is BXHNZYUQBQLNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-7-3-1-4-8(11(7)13(19)20)17-12(18)9-5-2-6-10(15)16-9/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid?
2-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic 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-chloro-6-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115496435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).