2,6-dichloro-5-fluoropyridin-3-amine hydrochloride

• ChemBase ID: 289774
• Molecular Formular: C5H4Cl3FN2
• Molecular Mass: 217.4560632
• Monoisotopic Mass: 215.9424094
• SMILES: Nc1cc(F)c(Cl)nc1Cl.Cl
• Canonical SMILES: Nc1cc(F)c(nc1Cl)Cl.Cl
• InChI: InChI=1S/C5H3Cl2FN2.ClH/c6-4-2(8)1-3(9)5(7)10-4;/h1H,9H2;1H
• InChIKey: JFQLVKUUCAWWGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-5-fluoropyridin-3-amine hydrochloride
• IUPAC Traditional name: 2,6-dichloro-5-fluoropyridin-3-amine hydrochloride
• Synonyms: 2,6-Dichloro-5-fluoropyridin-3-amine hydrochloride

Database IDs

• CAS Number: 152840-65-8
• PubChem SID: 180675305
• PubChem CID: 66570681

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7177931
• LogD (pH = 7.4): 1.7177931
• Log P: 1.7177931
• Molar Refractivity: 40.5501 cm^3
• Polarizability: 14.367413 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%