1-(4-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine hydrochloride

• ChemBase ID: 247364
• Molecular Formular: C12H13ClFN3
• Molecular Mass: 253.7031232
• Monoisotopic Mass: 253.07820333
• SMILES: n1(c2c(nc1)CNCC2)c1ccc(cc1)F.Cl
• Canonical SMILES: Fc1ccc(cc1)n1cnc2c1CCNC2.Cl
• InChI: InChI=1S/C12H12FN3.ClH/c13-9-1-3-10(4-2-9)16-8-15-11-7-14-6-5-12(11)16;/h1-4,8,14H,5-7H2;1H
• InChIKey: AGRXFZKNPGAPTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine hydrochloride
• IUPAC Traditional name: 1-(4-fluorophenyl)-4H,5H,6H,7H-imidazo[4,5-c]pyridine hydrochloride
• Synonyms: 1-(4-fluorophenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine hydrochloride

Database IDs

• PubChem SID: 164303274
• PubChem CID: 71758206

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8035717
• LogD (pH = 7.4): -0.06508061
• Log P: 0.6225
• Molar Refractivity: 70.2461 cm^3
• Polarizability: 23.30137 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.459

Product Information

• Purity: 95%