2-chloro-4-(pyridin-4-yl)pyridine

• ChemBase ID: 291687
• Molecular Formular: C10H7ClN2
• Molecular Mass: 190.62898
• Monoisotopic Mass: 190.02977591
• SMILES: Clc1nccc(c2ccncc2)c1
• Canonical SMILES: Clc1nccc(c1)c1ccncc1
• InChI: InChI=1S/C10H7ClN2/c11-10-7-9(3-6-13-10)8-1-4-12-5-2-8/h1-7H
• InChIKey: KFBDQGQDWTZZJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(pyridin-4-yl)pyridine
• IUPAC Traditional name: 2-chloro-4-(pyridin-4-yl)pyridine
• Synonyms: 2-Chloro-4,4'-bipyridine

Database IDs

• CAS Number: 53344-73-3
• MDL Number: MFCD11111098
• PubChem SID: 180677218
• PubChem CID: 13533718

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9248139
• LogD (pH = 7.4): 2.0081456
• Log P: 2.0093482
• Molar Refractivity: 52.7465 cm^3
• Polarizability: 21.41796 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%