4-chloro-2-ethenylpyridine

• ChemBase ID: 292428
• Molecular Formular: C7H6ClN
• Molecular Mass: 139.58224
• Monoisotopic Mass: 139.01887688
• SMILES: Clc1cc(C=C)ncc1
• Canonical SMILES: Clc1cc(C=C)ncc1
• InChI: InChI=1S/C7H6ClN/c1-2-7-5-6(8)3-4-9-7/h2-5H,1H2
• InChIKey: PQFVZJFFLBXQLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-ethenylpyridine
• IUPAC Traditional name: 4-chloro-2-ethenylpyridine
• Synonyms: 4-Chloro-2-vinylpyridine

Database IDs

• CAS Number: 98420-89-4
• PubChem SID: 180677959
• PubChem CID: 13497999

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3219316
• LogD (pH = 7.4): 2.3298788
• Log P: 2.3299813
• Molar Refractivity: 37.9451 cm^3
• Polarizability: 14.811138 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%