2-bromo-6-chloropyridin-3-amine

• ChemBase ID: 65704
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1c(nc(c(c1)N)Br)Cl
• Canonical SMILES: Clc1ccc(c(n1)Br)N
• InChI: InChI=1S/C5H4BrClN2/c6-5-3(8)1-2-4(7)9-5/h1-2H,8H2
• InChIKey: OPKKXWUGXHSFQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-chloropyridin-3-amine
• IUPAC Traditional name: 2-bromo-6-chloropyridin-3-amine
• Synonyms: 2-Bromo-6-chloropyridin-3-amine

Database IDs

• CAS Number: 1050501-88-6
• MDL Number: MFCD11504927
• PubChem SID: 162031443
• PubChem CID: 45480430

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7251439
• LogD (pH = 7.4): 1.7251439
• Log P: 1.7251439
• Molar Refractivity: 42.9326 cm^3
• Polarizability: 15.556124 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%; 98%