6-bromopyridine-2,3-diamine

• ChemBase ID: 288123
• Molecular Formular: C5H6BrN3
• Molecular Mass: 188.02524
• Monoisotopic Mass: 186.97450921
• SMILES: Nc1nc(Br)ccc1N
• Canonical SMILES: Brc1ccc(c(n1)N)N
• InChI: InChI=1S/C5H6BrN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
• InChIKey: LWXOPWFJTFAZRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromopyridine-2,3-diamine
• IUPAC Traditional name: 6-bromopyridine-2,3-diamine
• Synonyms: 6-Bromopyridine-2,3-diamine

Database IDs

• CAS Number: 129012-04-0
• PubChem SID: 180673654
• PubChem CID: 22388386

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.65857947
• LogD (pH = 7.4): 0.6663536
• Log P: 0.66645366
• Molar Refractivity: 42.0804 cm^3
• Polarizability: 14.690909 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%