4,5-dibromopyridin-2-amine

• ChemBase ID: 292571
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: Nc1ncc(Br)c(Br)c1
• Canonical SMILES: Nc1ncc(c(c1)Br)Br
• InChI: InChI=1S/C5H4Br2N2/c6-3-1-5(8)9-2-4(3)7/h1-2H,(H2,8,9)
• InChIKey: MQCOZWNPLKZILW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dibromopyridin-2-amine
• IUPAC Traditional name: 4,5-dibromopyridin-2-amine
• Synonyms: 4,5-Dibromopyridin-2-amine

Database IDs

• CAS Number: 856848-33-4
• PubChem SID: 180678102
• PubChem CID: 53485455

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0481923
• LogD (pH = 7.4): 2.0584774
• Log P: 2.0586102
• Molar Refractivity: 44.1606 cm^3
• Polarizability: 16.613255 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%