6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid

C13H8ClFN2O3 — CID 107370115

IUPAC6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2)nc1
InChIInChI=1S/C13H8ClFN2O3/c14-8-3-9(15)5-10(4-8)17-12(18)11-2-1-7(6-16-11)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyUCNUWZYRPMJWON-UHFFFAOYSA-N
MW294.67 g/mol
LogP2.82
Rot. Bonds3

About 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid

6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 107370115) has the molecular formula C13H8ClFN2O3 and a molecular weight of 294.67 g/mol. Its IUPAC name is 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID107370115
Molecular FormulaC13H8ClFN2O3
Molecular Weight294.67 g/mol
Exact Mass294.02
IUPAC Name6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2)nc1
InChIInChI=1S/C13H8ClFN2O3/c14-8-3-9(15)5-10(4-8)17-12(18)11-2-1-7(6-16-11)13(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyUCNUWZYRPMJWON-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

Analyze 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453105
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
2-[(3-chloro-5-fluorophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 107370113
6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107577282
6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
3-chloro-N-(3-chloro-5-fluorophenyl)-4-hydroxybenzamide
CID 107366859
3-bromo-5-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638360
6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 115116603
4-fluoro-3-[(5-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 104638170
N-(3-amino-5-fluorophenyl)-5-fluoropyridine-2-carboxamide
CID 107333949
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 107370115) is 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2)nc1.
What is the InChIKey of 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is UCNUWZYRPMJWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O3/c14-8-3-9(15)5-10(4-8)17-12(18)11-2-1-7(6-16-11)13(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid?
6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic 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 6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 107370115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).