3-chloro-5-(pyridin-3-yl)pyridine

• ChemBase ID: 796918
• Molecular Formular: C10H7ClN2
• Molecular Mass: 190.62898
• Monoisotopic Mass: 190.02977591
• SMILES: n1cc(cc(c1)Cl)c1cnccc1
• Canonical SMILES: Clc1cncc(c1)c1cccnc1
• InChI: InChI=1S/C10H7ClN2/c11-10-4-9(6-13-7-10)8-2-1-3-12-5-8/h1-7H
• InChIKey: RPXXMWFWFNJMIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-5-(pyridin-3-yl)pyridine
• IUPAC Traditional name: 3-chloro-5-(pyridin-3-yl)pyridine
• Synonyms: 5-Chloro-3,3'-bipyridine

Database IDs

• CAS Number: 284040-67-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7415965
• LogD (pH = 7.4): 1.7885311
• Log P: 1.789171
• Molar Refractivity: 51.6852 cm^3
• Polarizability: 21.373625 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%