4-chloro-3-(pyridine-4-carbonylamino)benzoic acid

C13H9ClN2O3 — CID 24688561

IUPAC4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C13H9ClN2O3/c14-10-2-1-9(13(18)19)7-11(10)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)(H,18,19)
InChIKeyLYBRASJKNGLWAC-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-3-(pyridine-4-carbonylamino)benzoic acid

4-chloro-3-(pyridine-4-carbonylamino)benzoic acid (PubChem CID 24688561) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 4-chloro-3-(pyridine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
PubChem CID24688561
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C13H9ClN2O3/c14-10-2-1-9(13(18)19)7-11(10)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)(H,18,19)
InChIKeyLYBRASJKNGLWAC-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

N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
ethyl 4-chloro-3-(pyridine-4-carbonylamino)benzoate
CID 7311998
3-[(5-carboxy-2-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270981
3-[(5-bromopyridine-3-carbonyl)amino]-4-chlorobenzoic acid
CID 28675243
4-chloro-3-[[2-(pyridine-4-carbonyloxy)acetyl]amino]benzoic acid
CID 23802638
4-chloro-3-(pyridin-4-ylmethylamino)benzoic acid
CID 6471733
N-(2-chlorophenyl)pyridine-4-carboxamide;hydrochloride
CID 110756414
4-chloro-3-[(2-chlorofuran-3-carbonyl)amino]benzoic acid
CID 106683323
3-[(3-bromo-5-chlorobenzoyl)amino]-4-chlorobenzoic acid
CID 107937708
4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4651643

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(pyridine-4-carbonylamino)benzoic acid?
The IUPAC name of 4-chloro-3-(pyridine-4-carbonylamino)benzoic acid (CID 24688561) is 4-chloro-3-(pyridine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 4-chloro-3-(pyridine-4-carbonylamino)benzoic acid?
The canonical SMILES for 4-chloro-3-(pyridine-4-carbonylamino)benzoic acid is O=C(O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1.
What is the InChIKey of 4-chloro-3-(pyridine-4-carbonylamino)benzoic acid?
The InChIKey is LYBRASJKNGLWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-10-2-1-9(13(18)19)7-11(10)16-12(17)8-3-5-15-6-4-8/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 4-chloro-3-(pyridine-4-carbonylamino)benzoic acid?
4-chloro-3-(pyridine-4-carbonylamino)benzoic 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-chloro-3-(pyridine-4-carbonylamino)benzoic acid is sourced from PubChem (CID 24688561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).