4,5-dibromopyridin-3-amine

• ChemBase ID: 245969
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: c1(c(N)cncc1Br)Br
• Canonical SMILES: Brc1c(N)cncc1Br
• InChI: InChI=1S/C5H4Br2N2/c6-3-1-9-2-4(8)5(3)7/h1-2H,8H2
• InChIKey: AMWQQNDMARFXEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dibromopyridin-3-amine
• IUPAC Traditional name: 4,5-dibromopyridin-3-amine
• Synonyms: 4,5-dibromopyridin-3-amine

Database IDs

• MDL Number: MFCD23144187
• PubChem SID: 164301879
• PubChem CID: 71757839

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4635519
• LogD (pH = 7.4): 1.4641451
• Log P: 1.4641527
• Molar Refractivity: 43.8471 cm^3
• Polarizability: 16.617695 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.06

Product Information

• Purity: 95%