4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid

C13H9ClN2O3 — CID 53270765

IUPAC4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O3/c14-8-1-3-9(4-2-8)16-12(17)10-5-6-15-7-11(10)13(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyLZANXYWSTOSIBZ-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.69
Rot. Bonds3

About 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid

4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 53270765) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID53270765
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O3/c14-8-1-3-9(4-2-8)16-12(17)10-5-6-15-7-11(10)13(18)19/h1-7H,(H,16,17)(H,18,19)
InChIKeyLZANXYWSTOSIBZ-UHFFFAOYSA-N
XLogP2.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270695
4-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270772
2-fluoro-5-[(3-hydroxypyridine-4-carbonyl)amino]benzoic acid
CID 81445446
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
4-[(5-fluoro-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244418
3-benzoyl-N-phenylpyridine-4-carboxamide
CID 14761571
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
N-(3,5-dichlorophenyl)-3-fluoropyridine-4-carboxamide
CID 115645307
N-(4-carbamoyl-3-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81226788
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid (CID 53270765) is 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid is O=C(O)c1cnccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is LZANXYWSTOSIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-8-1-3-9(4-2-8)16-12(17)10-5-6-15-7-11(10)13(18)19/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid?
4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 276.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53270765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).