4-bromopyridine

• ChemBase ID: 180320
• Molecular Formular: C5H4BrN
• Molecular Mass: 157.99596
• Monoisotopic Mass: 156.95271113
• SMILES: c1cc(ccn1)Br
• Canonical SMILES: Brc1ccncc1
• InChI: InChI=1S/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H
• InChIKey: BSDGZUDFPKIYQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromopyridine
• IUPAC Traditional name: 4-bromopyridine
• Synonyms: 4-Bromopyridine

Database IDs

• CAS Number: 1120-87-2; 1120-87-0
• PubChem SID: 164236230
• PubChem CID: 14268

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5118966
• LogD (pH = 7.4): 1.5241668
• Log P: 1.524326
• Molar Refractivity: 31.5239 cm^3
• Polarizability: 12.282274 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%