3,6-dibromopyridin-2-amine

• ChemBase ID: 291036
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: Nc1nc(Br)ccc1Br
• Canonical SMILES: Brc1ccc(c(n1)N)Br
• InChI: InChI=1S/C5H4Br2N2/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H2,8,9)
• InChIKey: JLZDECJPDYNENP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,6-dibromopyridin-2-amine
• IUPAC Traditional name: 3,6-dibromopyridin-2-amine
• Synonyms: 3,6-Dibromopyridin-2-amine

Database IDs

• CAS Number: 503425-86-3
• PubChem SID: 180676567
• PubChem CID: 1236654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.264078
• LogD (pH = 7.4): 2.2641315
• Log P: 2.2641323
• Molar Refractivity: 45.0028 cm^3
• Polarizability: 16.660667 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%