3,5,6-tribromopyridin-2-amine

• ChemBase ID: 290599
• Molecular Formular: C5H3Br3N2
• Molecular Mass: 330.80272
• Monoisotopic Mass: 327.78463411
• SMILES: Nc1nc(Br)c(Br)cc1Br
• Canonical SMILES: Brc1cc(Br)c(nc1N)Br
• InChI: InChI=1S/C5H3Br3N2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
• InChIKey: QXPFSKGRHXJUEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5,6-tribromopyridin-2-amine
• IUPAC Traditional name: 3,5,6-tribromopyridin-2-amine
• Synonyms: 3,5,6-Tribromopyridin-2-amine

Database IDs

• CAS Number: 63875-38-7
• PubChem SID: 180676130
• PubChem CID: 3608382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0328841
• LogD (pH = 7.4): 3.0328848
• Log P: 3.0328848
• Molar Refractivity: 52.6256 cm^3
• Polarizability: 19.893984 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%