3,5-dibromopyridin-4-amine

• ChemBase ID: 69271
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: c1c(c(c(cn1)Br)N)Br
• Canonical SMILES: Brc1cncc(c1N)Br
• InChI: InChI=1S/C5H4Br2N2/c6-3-1-9-2-4(7)5(3)8/h1-2H,(H2,8,9)
• InChIKey: MNRBVTDLMUNVLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromopyridin-4-amine
• IUPAC Traditional name: 3,5-dibromopyridin-4-amine
• Synonyms: 3,5-dibromopyridin-4-amine; 4-Amino-3,5-dibromopyridine; 3,5-Dibromopyridin-4-amine

Database IDs

• CAS Number: 84539-34-4
• MDL Number: MFCD00234048
• PubChem SID: 162034998
• PubChem CID: 619792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0964906
• LogD (pH = 7.4): 1.4556537
• Log P: 1.4641527
• Molar Refractivity: 43.8471 cm^3
• Polarizability: 16.616625 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.26

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%