4-chloro-2-propylpyridine

• ChemBase ID: 799256
• Molecular Formular: C8H10ClN
• Molecular Mass: 155.6247
• Monoisotopic Mass: 155.05017701
• SMILES: n1c(cc(cc1)Cl)CCC
• Canonical SMILES: CCCc1cc(Cl)ccn1
• InChI: InChI=1S/C8H10ClN/c1-2-3-8-6-7(9)4-5-10-8/h4-6H,2-3H2,1H3
• InChIKey: XACBIHLRDPQCGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-propylpyridine
• IUPAC Traditional name: 4-chloro-2-propylpyridine
• Synonyms: 4-Chloro-2-propyl-pyridine

Database IDs

• CAS Number: 93856-98-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.595777
• LogD (pH = 7.4): 2.6355593
• Log P: 2.6360927
• Molar Refractivity: 42.5253 cm^3
• Polarizability: 16.741436 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%