2-bromo-5-chloropyridin-3-amine

• ChemBase ID: 63764
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: n1c(c(cc(c1)Cl)N)Br
• Canonical SMILES: Clc1cnc(c(c1)N)Br
• InChI: InChI=1S/C5H4BrClN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
• InChIKey: AZOXQBMBDRLSCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloropyridin-3-amine
• IUPAC Traditional name: 2-bromo-5-chloropyridin-3-amine
• Synonyms: 3-Amino-2-bromo-5-chloropyridine

Database IDs

• CAS Number: 90902-83-3
• MDL Number: MFCD07368976
• PubChem SID: 162029503
• PubChem CID: 2769640

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5049652
• LogD (pH = 7.4): 1.5049667
• Log P: 1.5049667
• Molar Refractivity: 41.8713 cm^3
• Polarizability: 15.524819 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Purity: 98%