3-chloro-6-methoxy-N-methylpyridine-2-carboxamide

• ChemBase ID: 88346
• Molecular Formular: C8H9ClN2O2
• Molecular Mass: 200.62226
• Monoisotopic Mass: 200.03525522
• SMILES: n1c(c(ccc1OC)Cl)C(=O)NC
• Canonical SMILES: CNC(=O)c1nc(OC)ccc1Cl
• InChI: InChI=1S/C8H9ClN2O2/c1-10-8(12)7-5(9)3-4-6(11-7)13-2/h3-4H,1-2H3,(H,10,12)
• InChIKey: YEZUNGLSHZWQMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-6-methoxy-N-methylpyridine-2-carboxamide
• IUPAC Traditional name: 3-chloro-6-methoxy-N-methylpyridine-2-carboxamide
• Synonyms: 3-Chloro-6-methoxy-2-(methylcarbamoyl)pyridine; 3-Chloro-6-methoxy-N-methylpyridine-2-carboxamide

Database IDs

• PubChem SID: 162104581
• PubChem CID: 51341993

CALCULATED PROPERTIES

• Acid pKa: 12.976534
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.256571
• LogD (pH = 7.4): 1.25657
• Log P: 1.256571
• Molar Refractivity: 49.0857 cm^3
• Polarizability: 18.62274 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon