tetrachloropyridin-2-amine

• ChemBase ID: 80334
• Molecular Formular: C5H2Cl4N2
• Molecular Mass: 231.89478
• Monoisotopic Mass: 229.89720879
• SMILES: n1c(c(c(c(c1Cl)Cl)Cl)Cl)N
• Canonical SMILES: Clc1c(N)nc(c(c1Cl)Cl)Cl
• InChI: InChI=1S/C5H2Cl4N2/c6-1-2(7)4(9)11-5(10)3(1)8/h(H2,10,11)
• InChIKey: UNFHNOMCUBAGRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01312170
• PubChem SID: 162067454
• PubChem CID: 186651

CALCULATED PROPERTIES

• Acid pKa: 19.339552
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1574607
• LogD (pH = 7.4): 3.157461
• Log P: 3.157461
• Molar Refractivity: 49.1955 cm^3
• Polarizability: 18.518578 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true