4-chloro-2-(6-chloropyridin-3-yl)-6-methylpyrimidine

• ChemBase ID: 282167
• Molecular Formular: C10H7Cl2N3
• Molecular Mass: 240.08868
• Monoisotopic Mass: 239.0017026
• SMILES: c1(nc(cc(n1)C)Cl)c1cnc(cc1)Cl
• Canonical SMILES: Clc1ccc(cn1)c1nc(C)cc(n1)Cl
• InChI: InChI=1S/C10H7Cl2N3/c1-6-4-9(12)15-10(14-6)7-2-3-8(11)13-5-7/h2-5H,1H3
• InChIKey: MHNAMAHHMRJQIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-(6-chloropyridin-3-yl)-6-methylpyrimidine
• IUPAC Traditional name: 4-chloro-2-(6-chloropyridin-3-yl)-6-methylpyrimidine
• Synonyms: 4-chloro-2-(6-chloropyridin-3-yl)-6-methylpyrimidine

Database IDs

• MDL Number: MFCD17167262
• PubChem SID: 180667698
• PubChem CID: 17965369

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0800605
• LogD (pH = 7.4): 3.080197
• Log P: 3.0801988
• Molar Refractivity: 72.3002 cm^3
• Polarizability: 23.572783 Å^3
• Polar Surface Area: 38.67 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.375

Product Information

• Purity: 95%