5,6-dibromopyridin-3-amine

• ChemBase ID: 70975
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: c1c(cc(c(n1)Br)Br)N
• Canonical SMILES: Nc1cnc(c(c1)Br)Br
• InChI: InChI=1S/C5H4Br2N2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2
• InChIKey: NAAJNKAJCAUMJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dibromopyridin-3-amine
• IUPAC Traditional name: 5,6-dibromopyridin-3-amine
• Synonyms: 5,6-Dibromopyridin-3-amine

Database IDs

• CAS Number: 53242-19-6
• MDL Number: MFCD11110698
• PubChem SID: 162036683
• PubChem CID: 44754894

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6696719
• LogD (pH = 7.4): 1.6696746
• Log P: 1.6696748
• Molar Refractivity: 44.6893 cm^3
• Polarizability: 16.661879 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108°C
• Hydrophobicity(logP): 2.01

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%