4-(bromomethyl)-2-ethylpyridine

• ChemBase ID: 88279
• Molecular Formular: C8H10BrN
• Molecular Mass: 200.0757
• Monoisotopic Mass: 198.99966133
• SMILES: n1c(cc(cc1)CBr)CC
• Canonical SMILES: CCc1nccc(c1)CBr
• InChI: InChI=1S/C8H10BrN/c1-2-8-5-7(6-9)3-4-10-8/h3-5H,2,6H2,1H3
• InChIKey: VXBCENSSPUOYEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomethyl)-2-ethylpyridine
• IUPAC Traditional name: 4-(bromomethyl)-2-ethylpyridine
• Synonyms: 4-(Bromomethyl)-2-ethylpyridine

Database IDs

• PubChem SID: 162104576
• PubChem CID: 21874554

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0473444
• LogD (pH = 7.4): 2.3542588
• Log P: 2.3602169
• Molar Refractivity: 45.9699 cm^3
• Polarizability: 17.545805 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant