2,3,5-tribromopyridine

• ChemBase ID: 19169
• Molecular Formular: C5H2Br3N
• Molecular Mass: 315.78808
• Monoisotopic Mass: 312.77373507
• SMILES: c1(cnc(c(c1)Br)Br)Br
• Canonical SMILES: Brc1cnc(c(c1)Br)Br
• InChI: InChI=1S/C5H2Br3N/c6-3-1-4(7)5(8)9-2-3/h1-2H
• InChIKey: BBHYMJRPJFVNPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-tribromopyridine
• IUPAC Traditional name: 2,3,5-tribromopyridine
• Synonyms: 2,3,5-Tribromopyridine; 2,3,5-Tribromopyridine

Database IDs

• CAS Number: 75806-85-8
• MDL Number: MFCD00233999
• PubChem SID: 160982476
• PubChem CID: 628798

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2673533
• LogD (pH = 7.4): 3.2673533
• Log P: 3.2673533
• Molar Refractivity: 47.6117 cm^3
• Polarizability: 18.713316 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41-44°C

Safety Information

• Storage Warning: IRRITANT, MOISTURE SENSITIVE; Toxic/Corrosive/Light Sensitive/Moisture Sensitive
• TSCA Listed: false

Product Information

• Purity: 97%; 98%