3,4-dibromopyridine

• ChemBase ID: 44854
• Molecular Formular: C5H3Br2N
• Molecular Mass: 236.89202
• Monoisotopic Mass: 234.8632231
• SMILES: c1c(c(ccn1)Br)Br
• Canonical SMILES: Brc1cnccc1Br
• InChI: InChI=1S/C5H3Br2N/c6-4-1-2-8-3-5(4)7/h1-3H
• InChIKey: ZFZWZGANFCWADD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dibromopyridine
• IUPAC Traditional name: 3,4-dibromopyridine
• Synonyms: 3,4-Dibromopyridine

Database IDs

• CAS Number: 13534-90-2
• MDL Number: MFCD00234016
• PubChem SID: 162049617
• PubChem CID: 817106

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2928045
• LogD (pH = 7.4): 2.293075
• Log P: 2.2930787
• Molar Refractivity: 39.1467 cm^3
• Polarizability: 15.433185 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71-73°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%