5-benzyl-2-chloropyridine

• ChemBase ID: 65952
• Molecular Formular: C12H10ClN
• Molecular Mass: 203.6675
• Monoisotopic Mass: 203.05017701
• SMILES: n1c(Cl)ccc(c1)Cc1ccccc1
• Canonical SMILES: Clc1ccc(cn1)Cc1ccccc1
• InChI: InChI=1S/C12H10ClN/c13-12-7-6-11(9-14-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2
• InChIKey: SFSNZWOWXYUDIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-2-chloropyridine
• IUPAC Traditional name: 5-benzyl-2-chloropyridine
• Synonyms: 5-Benzyl-2-chloropyridine

Database IDs

• MDL Number: MFCD22126098
• PubChem SID: 162031691
• PubChem CID: 19087995

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.671559
• LogD (pH = 7.4): 3.671589
• Log P: 3.6715894
• Molar Refractivity: 59.5044 cm^3
• Polarizability: 22.716576 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 48 - 50 °C; 48-50°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >97%