4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid

C14H11ClN2O4 — CID 43358856

IUPAC4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cn1
InChIInChI=1S/C14H11ClN2O4/c1-21-12-5-3-9(7-16-12)13(18)17-11-6-8(14(19)20)2-4-10(11)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyOZIKGTJMNWRFKQ-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.69
Rot. Bonds4

About 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid

4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid (PubChem CID 43358856) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
PubChem CID43358856
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cn1
InChIInChI=1S/C14H11ClN2O4/c1-21-12-5-3-9(7-16-12)13(18)17-11-6-8(14(19)20)2-4-10(11)15/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyOZIKGTJMNWRFKQ-UHFFFAOYSA-N
XLogP2.69
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[(3,5-dichloro-4-methoxybenzoyl)amino]benzoic acid
CID 28673811
N-(4-bromo-2-chlorophenyl)-6-methoxypyridine-3-carboxamide
CID 134016007
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
4-chloro-3-(pyridine-4-carbonylamino)benzoic acid
CID 24688561
N-(5-chloro-2-phenoxyphenyl)-6-methoxypyridine-3-carboxamide
CID 30779619
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
3-chloro-5-[(3,4-dichlorobenzoyl)amino]-4-methoxybenzoic acid
CID 28668233
4-chloro-3-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702365
4-chloro-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030925
4-[(6-methoxypyridine-3-carbonyl)amino]pyridine-2-carboxylic acid
CID 63650775
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 84580545
N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
CID 134015998

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid (CID 43358856) is 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid is COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cn1.
What is the InChIKey of 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is OZIKGTJMNWRFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-21-12-5-3-9(7-16-12)13(18)17-11-6-8(14(19)20)2-4-10(11)15/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid?
4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 306.71 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(6-methoxypyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43358856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).