2-chloro-5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]pyridine

• ChemBase ID: 124103
• Molecular Formular: C9H6Cl3N3
• Molecular Mass: 262.52304
• Monoisotopic Mass: 260.96273025
• SMILES: n1(c(c(nc1)Cl)Cl)Cc1cnc(Cl)cc1
• Canonical SMILES: Clc1ccc(cn1)Cn1cnc(c1Cl)Cl
• InChI: InChI=1S/C9H6Cl3N3/c10-7-2-1-6(3-13-7)4-15-5-14-8(11)9(15)12/h1-3,5H,4H2
• InChIKey: OMCMEOXCOGAWKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]pyridine
• IUPAC Traditional name: 2-chloro-5-[(4,5-dichloroimidazol-1-yl)methyl]pyridine
• Synonyms: 2-chloro-5-((4,5-dichloro-1H-imidazol-1-yl)methyl)pyridine

Database IDs

• PubChem SID: 162218456
• PubChem CID: 49651969

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.551227
• LogD (pH = 7.4): 2.5527325
• Log P: 2.5527515
• Molar Refractivity: 62.9033 cm^3
• Polarizability: 23.529448 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true