4-chloro-2-(pyridine-3-carbonylamino)benzoic acid

C13H9ClN2O3 — CID 16772480

IUPAC4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1cccnc1
InChIInChI=1S/C13H9ClN2O3/c14-9-3-4-10(13(18)19)11(6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)(H,18,19)
InChIKeyCGNMRXYXDJIALC-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-2-(pyridine-3-carbonylamino)benzoic acid

4-chloro-2-(pyridine-3-carbonylamino)benzoic acid (PubChem CID 16772480) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is 4-chloro-2-(pyridine-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
PubChem CID16772480
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Name4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
SMILESO=C(Nc1cc(Cl)ccc1C(=O)O)c1cccnc1
InChIInChI=1S/C13H9ClN2O3/c14-9-3-4-10(13(18)19)11(6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)(H,18,19)
InChIKeyCGNMRXYXDJIALC-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-phenoxy-2-(pyridine-3-carbonylamino)benzoic acid
CID 67343472
4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid
CID 142865834
N'-(4-chloro-2-iodobenzoyl)pyridine-3-carbohydrazide
CID 39716932
4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
4-chloro-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702304
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
CID 104741854
N-(4-chloro-2-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 99833805
4-chloro-2-[(3,4-dihydroxybenzoyl)amino]benzoic acid
CID 107727969
2-[(5-bromothiophene-3-carbonyl)amino]-4-chlorobenzoic acid
CID 43354294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(pyridine-3-carbonylamino)benzoic acid?
The IUPAC name of 4-chloro-2-(pyridine-3-carbonylamino)benzoic acid (CID 16772480) is 4-chloro-2-(pyridine-3-carbonylamino)benzoic acid.
What is the SMILES notation for 4-chloro-2-(pyridine-3-carbonylamino)benzoic acid?
The canonical SMILES for 4-chloro-2-(pyridine-3-carbonylamino)benzoic acid is O=C(Nc1cc(Cl)ccc1C(=O)O)c1cccnc1.
What is the InChIKey of 4-chloro-2-(pyridine-3-carbonylamino)benzoic acid?
The InChIKey is CGNMRXYXDJIALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c14-9-3-4-10(13(18)19)11(6-9)16-12(17)8-2-1-5-15-7-8/h1-7H,(H,16,17)(H,18,19).
What are the key properties of 4-chloro-2-(pyridine-3-carbonylamino)benzoic acid?
4-chloro-2-(pyridine-3-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-2-(pyridine-3-carbonylamino)benzoic acid is sourced from PubChem (CID 16772480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).