4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid

C14H11ClN2O3 — CID 62239229

IUPAC4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C14H11ClN2O3/c1-8-7-9(14(19)20)5-6-10(8)17-13(18)11-3-2-4-12(15)16-11/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyUHHLQCRUPMDXFB-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.99
Rot. Bonds3

About 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid

4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid (PubChem CID 62239229) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
PubChem CID62239229
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC Name4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1NC(=O)c1cccc(Cl)n1
InChIInChI=1S/C14H11ClN2O3/c1-8-7-9(14(19)20)5-6-10(8)17-13(18)11-3-2-4-12(15)16-11/h2-7H,1H3,(H,17,18)(H,19,20)
InChIKeyUHHLQCRUPMDXFB-UHFFFAOYSA-N
XLogP2.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(5-chloropyrazine-2-carbonyl)amino]-3-methylbenzoic acid
CID 107371405
4-[(2,6-dihydroxybenzoyl)amino]-3-methylbenzoic acid
CID 107687790
3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539
3-methyl-4-[(4-methylbenzoyl)amino]benzoic acid
CID 16777399
4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoic acid
CID 62959114
6-[[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119183235
6-[(6-chloropyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62240088
6-chloro-N-(4-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 63327625
4-[(4-chloropyridine-3-carbonyl)amino]-3-methylbenzoic acid
CID 81226642
3-fluoro-4-[(6-fluoropyridine-2-carbonyl)amino]benzoic acid
CID 115496426
4-[(2-chloro-5-hydroxybenzoyl)amino]-3-methylbenzoic acid
CID 106500177
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid?
The IUPAC name of 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid (CID 62239229) is 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid?
The canonical SMILES for 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1NC(=O)c1cccc(Cl)n1.
What is the InChIKey of 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid?
The InChIKey is UHHLQCRUPMDXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8-7-9(14(19)20)5-6-10(8)17-13(18)11-3-2-4-12(15)16-11/h2-7H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid?
4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid has a molecular weight of 290.71 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloropyridine-2-carbonyl)amino]-3-methylbenzoic acid is sourced from PubChem (CID 62239229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).