tetrachloropyridin-3-amine

• ChemBase ID: 290648
• Molecular Formular: C5H2Cl4N2
• Molecular Mass: 231.89478
• Monoisotopic Mass: 229.89720879
• SMILES: Nc1c(Cl)c(Cl)c(Cl)nc1Cl
• Canonical SMILES: Nc1c(Cl)nc(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C5H2Cl4N2/c6-1-2(7)4(8)11-5(9)3(1)10/h10H2
• InChIKey: NIJKPRQUINCPAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrachloropyridin-3-amine
• IUPAC Traditional name: tetrachloropyridin-3-amine
• Synonyms: 2,4,5,6-Tetrachloropyridin-3-amine

Database IDs

• CAS Number: 447433-84-3
• PubChem SID: 180676179
• PubChem CID: 616072

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7831805
• LogD (pH = 7.4): 2.7831805
• Log P: 2.7831805
• Molar Refractivity: 49.9433 cm^3
• Polarizability: 18.541748 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%