5-bromo-4-chloropyridin-3-amine

• ChemBase ID: 241901
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1(c(N)cncc1Br)Cl
• Canonical SMILES: Clc1c(N)cncc1Br
• InChI: InChI=1S/C5H4BrClN2/c6-3-1-9-2-4(8)5(3)7/h1-2H,8H2
• InChIKey: KAJRLYHBOIPDLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-chloropyridin-3-amine
• IUPAC Traditional name: 5-bromo-4-chloropyridin-3-amine
• Synonyms: 5-bromo-4-chloropyridin-3-amine

Database IDs

• CAS Number: 89283-92-1
• MDL Number: MFCD12828485
• PubChem SID: 164297811
• PubChem CID: 53418432

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2986587
• LogD (pH = 7.4): 1.2994348
• Log P: 1.2994448
• Molar Refractivity: 41.0291 cm^3
• Polarizability: 15.480874 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 96 - 98°C
• Hydrophobicity(logP): 1.92

Product Information

• Purity: 95%; 95+%