2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide

• ChemBase ID: 289978
• Molecular Formular: C13H12ClN3O2
• Molecular Mass: 277.70628
• Monoisotopic Mass: 277.06180432
• SMILES: O=C(Nc1ncc(Cl)cc1)c1cc(OC)ccc1N
• Canonical SMILES: COc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)N
• InChI: InChI=1S/C13H12ClN3O2/c1-19-9-3-4-11(15)10(6-9)13(18)17-12-5-2-8(14)7-16-12/h2-7H,15H2,1H3,(H,16,17,18)
• InChIKey: GCCIHZVIPXGAPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide
• IUPAC Traditional name: 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide
• Synonyms: 2-Amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide

Database IDs

• CAS Number: 280773-17-3
• PubChem SID: 180675509
• PubChem CID: 21906241

CALCULATED PROPERTIES

• Acid pKa: 10.2166395
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.7085936
• LogD (pH = 7.4): 2.7087245
• Log P: 2.7093632
• Molar Refractivity: 75.7165 cm^3
• Polarizability: 27.613897 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%