2,6-dibromopyridin-3-amine

• ChemBase ID: 67420
• Molecular Formular: C5H4Br2N2
• Molecular Mass: 251.90666
• Monoisotopic Mass: 249.87412214
• SMILES: c1(c(ccc(n1)Br)N)Br
• Canonical SMILES: Brc1ccc(c(n1)Br)N
• InChI: InChI=1S/C5H4Br2N2/c6-4-2-1-3(8)5(7)9-4/h1-2H,8H2
• InChIKey: CRTOIQFRVBJJRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromopyridin-3-amine
• IUPAC Traditional name: 2,6-dibromopyridin-3-amine
• Synonyms: 3-Amino-2,6-dibromopyridine; 2,6-Dibromo-pyridin-3-ylamine; 2,6-Dibromopyridin-3-amine; 2,6-Dibromopyridin-3-amine

Database IDs

• CAS Number: 39856-57-0
• MDL Number: MFCD00128862
• PubChem SID: 162033155
• PubChem CID: 817678

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8751967
• LogD (pH = 7.4): 1.8751967
• Log P: 1.8751967
• Molar Refractivity: 45.5315 cm^3
• Polarizability: 16.705425 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.406

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%