3,5-dichloro-2,6-difluoropyridin-4-amine

• ChemBase ID: 13650
• Molecular Formular: C5H2Cl2F2N2
• Molecular Mass: 198.9855864
• Monoisotopic Mass: 197.95630987
• SMILES: c1(c(nc(c(c1N)Cl)F)F)Cl
• Canonical SMILES: Fc1nc(F)c(c(c1Cl)N)Cl
• InChI: InChI=1S/C5H2Cl2F2N2/c6-1-3(10)2(7)5(9)11-4(1)8/h(H2,10,11)
• InChIKey: BEGINUFBBRTGBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-2,6-difluoropyridin-4-amine
• IUPAC Traditional name: 3,5-dichloro-2,6-difluoropyridin-4-amine
• Synonyms: 4-Amino-3,5-dichloro-2,6-difluoropyridine; 3,5-Dichloro-2,6-difluoropyridin-4-amine

Database IDs

• CAS Number: 2840-00-8
• MDL Number: MFCD00011574
• PubChem SID: 160976957
• PubChem CID: 76089

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.208002
• LogD (pH = 7.4): 2.208002
• Log P: 2.208002
• Molar Refractivity: 40.6733 cm^3
• Polarizability: 14.217573 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 112-114°C

Safety Information

• Storage Warning: Harmful/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%