6-chloro-2-(6-chloro-3-methylpyridine-2-carbonyl)-3-methylpyridine

• ChemBase ID: 102034
• Molecular Formular: C13H10Cl2N2O
• Molecular Mass: 281.1373
• Monoisotopic Mass: 280.01701831
• SMILES: c1c(nc(c(c1)C)C(=O)c1nc(ccc1C)Cl)Cl
• Canonical SMILES: O=C(c1nc(Cl)ccc1C)c1nc(Cl)ccc1C
• InChI: InChI=1S/C13H10Cl2N2O/c1-7-3-5-9(14)16-11(7)13(18)12-8(2)4-6-10(15)17-12/h3-6H,1-2H3
• InChIKey: UCGLQPWLJVQQFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-(6-chloro-3-methylpyridine-2-carbonyl)-3-methylpyridine
• IUPAC Traditional name: 6-chloro-2-(6-chloro-3-methylpyridine-2-carbonyl)-3-methylpyridine
• Synonyms: Bis(6-chloro-3-methylpyridin-2-yl)methanone

Database IDs

• PubChem SID: 162105657
• PubChem CID: 71300151

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.444241
• LogD (pH = 7.4): 4.444241
• Log P: 4.444241
• Molar Refractivity: 73.3903 cm^3
• Polarizability: 27.6106 Å^3
• Polar Surface Area: 42.85 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%