5-bromopyridine-2,4-diamine

• ChemBase ID: 287919
• Molecular Formular: C5H6BrN3
• Molecular Mass: 188.02524
• Monoisotopic Mass: 186.97450921
• SMILES: Nc1ncc(Br)c(N)c1
• Canonical SMILES: Nc1ncc(c(c1)N)Br
• InChI: InChI=1S/C5H6BrN3/c6-3-2-9-5(8)1-4(3)7/h1-2H,(H4,7,8,9)
• InChIKey: GNOTUWYODYTQCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromopyridine-2,4-diamine
• IUPAC Traditional name: 5-bromopyridine-2,4-diamine
• Synonyms: 5-Bromopyridine-2,4-diamine

Database IDs

• CAS Number: 1201784-84-0
• PubChem SID: 180673450
• PubChem CID: 53485735

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0189942
• LogD (pH = 7.4): -0.5771102
• Log P: 0.46093163
• Molar Refractivity: 41.2382 cm^3
• Polarizability: 14.643711 Å^3
• Polar Surface Area: 64.93 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%