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

C13H8ClFN2O3 — CID 103871818

IUPAC4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C13H8ClFN2O3/c14-11-6-7(3-4-16-11)12(18)17-10-2-1-8(13(19)20)5-9(10)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyNKVAECPUMDPGIO-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.82
Rot. Bonds3

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

4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid (PubChem CID 103871818) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
PubChem CID103871818
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2ccnc(Cl)c2)c(F)c1
InChIInChI=1S/C13H8ClFN2O3/c14-11-6-7(3-4-16-11)12(18)17-10-2-1-8(13(19)20)5-9(10)15/h1-6H,(H,17,18)(H,19,20)
InChIKeyNKVAECPUMDPGIO-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-[(3,4-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190261
3-fluoro-4-(pyridazine-4-carbonylamino)benzoic acid
CID 112555172
4-[(3,4-dihydroxybenzoyl)amino]-3-fluorobenzoic acid
CID 107728087
3-fluoro-4-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 63189731
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
3-fluoro-4-(pyrimidine-5-carbonylamino)benzoic acid
CID 102921504
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
4-[(3,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189775
N-(4-bromo-2,6-difluorophenyl)-2-chloropyridine-4-carboxamide
CID 65469908
3-fluoro-4-(1,2-oxazole-5-carbonylamino)benzoic acid
CID 63189912
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid (CID 103871818) is 4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid is O=C(O)c1ccc(NC(=O)c2ccnc(Cl)c2)c(F)c1.
What is the InChIKey of 4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid?
The InChIKey is NKVAECPUMDPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-11-6-7(3-4-16-11)12(18)17-10-2-1-8(13(19)20)5-9(10)15/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid?
4-[(2-chloropyridine-4-carbonyl)amino]-3-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 4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 103871818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).