5-cyclopropyl-2-phenylpyridine

• ChemBase ID: 797670
• Molecular Formular: C14H13N
• Molecular Mass: 195.25972
• Monoisotopic Mass: 195.10479942
• SMILES: n1c(ccc(c1)C1CC1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc(cn1)C1CC1
• InChI: InChI=1S/C14H13N/c1-2-4-12(5-3-1)14-9-8-13(10-15-14)11-6-7-11/h1-5,8-11H,6-7H2
• InChIKey: DBAWNTMXTAWYKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-2-phenylpyridine
• IUPAC Traditional name: 5-cyclopropyl-2-phenylpyridine
• Synonyms: 5-Cyclopropyl-2-phenylpyridine

Database IDs

• CAS Number: 1245645-30-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5070636
• LogD (pH = 7.4): 3.5690768
• Log P: 3.5699322
• Molar Refractivity: 61.0539 cm^3
• Polarizability: 25.240126 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%