2-bromo-4-chloropyridin-3-amine

• ChemBase ID: 243912
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1(c(nccc1Cl)Br)N
• Canonical SMILES: Clc1ccnc(c1N)Br
• InChI: InChI=1S/C5H4BrClN2/c6-5-4(8)3(7)1-2-9-5/h1-2H,8H2
• InChIKey: BZXFKYRDEFEWPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-chloropyridin-3-amine
• IUPAC Traditional name: 2-bromo-4-chloropyridin-3-amine
• Synonyms: 2-bromo-4-chloropyridin-3-amine

Database IDs

• MDL Number: MFCD13193358
• PubChem SID: 164299822
• PubChem CID: 22476286

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.504961
• LogD (pH = 7.4): 1.5049667
• Log P: 1.5049667
• Molar Refractivity: 41.8713 cm^3
• Polarizability: 15.518427 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.11

Product Information

• Purity: 95%