2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid

C13H10ClN3O3 — CID 104741854

IUPAC2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
SMILESNc1cccnc1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H10ClN3O3/c14-7-3-4-8(13(19)20)10(6-7)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)(H,19,20)
InChIKeyYDKNLJFKPHEHDJ-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.27
Rot. Bonds3

About 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid

2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid (PubChem CID 104741854) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
PubChem CID104741854
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid
SMILESNc1cccnc1C(=O)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C13H10ClN3O3/c14-7-3-4-8(13(19)20)10(6-7)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)(H,19,20)
InChIKeyYDKNLJFKPHEHDJ-UHFFFAOYSA-N
XLogP2.27
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(3-hydroxypyridine-2-carbonyl)amino]benzoic acid
CID 60923710
3-amino-N-(2-bromo-5-chlorophenyl)pyridine-2-carboxamide
CID 113447794
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107625379
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
CID 45436123
3-amino-N-(6-chloroquinolin-8-yl)pyridine-2-carboxamide
CID 104741160
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 104741384
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
2-[(5-chloro-2-cyanophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614768
4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
3-bromo-N-[5-chloro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]pyridine-2-carboxamide
CID 107525430
3-amino-N-(5-carbamoyl-2-fluorophenyl)pyridine-2-carboxamide
CID 104741270

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid?
The IUPAC name of 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid (CID 104741854) is 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid.
What is the SMILES notation for 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid?
The canonical SMILES for 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid is Nc1cccnc1C(=O)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid?
The InChIKey is YDKNLJFKPHEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-7-3-4-8(13(19)20)10(6-7)17-12(18)11-9(15)2-1-5-16-11/h1-6H,15H2,(H,17,18)(H,19,20).
What are the key properties of 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid?
2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid has a molecular weight of 291.69 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyridine-2-carbonyl)amino]-4-chlorobenzoic acid is sourced from PubChem (CID 104741854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).