6-bromopyridine-3,4-diamine

• ChemBase ID: 802719
• Molecular Formular: C5H6BrN3
• Molecular Mass: 188.02524
• Monoisotopic Mass: 186.97450921
• SMILES: n1cc(c(cc1Br)N)N
• Canonical SMILES: Brc1ncc(c(c1)N)N
• InChI: InChI=1S/C5H6BrN3/c6-5-1-3(7)4(8)2-9-5/h1-2H,8H2,(H2,7,9)
• InChIKey: XCVAQMLOGLDTNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyridine-3,4-diamine
• IUPAC Traditional name: 6-bromopyridine-3,4-diamine
• Synonyms: 6-BROMOPYRIDINE-3,4-DIAMINE

Database IDs

• CAS Number: 1033203-41-6

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3731315
• LogD (pH = 7.4): 0.06173637
• Log P: 0.07199612
• Molar Refractivity: 41.7669 cm^3
• Polarizability: 14.687331 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%