3,5-dibromo-2-chloropyridin-4-amine

• ChemBase ID: 51506
• Molecular Formular: C5H3Br2ClN2
• Molecular Mass: 286.35172
• Monoisotopic Mass: 283.83514979
• SMILES: c1(c(c(cnc1Cl)Br)N)Br
• Canonical SMILES: Brc1cnc(c(c1N)Br)Cl
• InChI: InChI=1S/C5H3Br2ClN2/c6-2-1-10-5(8)3(7)4(2)9/h1H,(H2,9,10)
• InChIKey: JSWRREFUDHGVFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-chloropyridin-4-amine
• IUPAC Traditional name: 3,5-dibromo-2-chloropyridin-4-amine
• Synonyms: 3,5-Dibromo-2-chloro-4-pyridinamine

Database IDs

• CAS Number: 1054484-40-0
• MDL Number: MFCD11110699
• PubChem SID: 162056269
• PubChem CID: 44754892

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2882543
• LogD (pH = 7.4): 2.288373
• Log P: 2.2883744
• Molar Refractivity: 49.7132 cm^3
• Polarizability: 18.700129 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 157 °C; 156-157°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%