6-chloro-3-fluoropyridin-2-amine

• ChemBase ID: 240194
• Molecular Formular: C5H4ClFN2
• Molecular Mass: 146.5500632
• Monoisotopic Mass: 146.00470404
• SMILES: n1c(c(ccc1Cl)F)N
• Canonical SMILES: Clc1ccc(c(n1)N)F
• InChI: InChI=1S/C5H4ClFN2/c6-4-2-1-3(7)5(8)9-4/h1-2H,(H2,8,9)
• InChIKey: WXZISDKNBACWRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-fluoropyridin-2-amine
• IUPAC Traditional name: 6-chloro-3-fluoropyridin-2-amine
• Synonyms: 6-chloro-3-fluoropyridin-2-amine

Database IDs

• CAS Number: 1260672-14-7
• MDL Number: MFCD18250471
• PubChem SID: 164296104
• PubChem CID: 21790134

CALCULATED PROPERTIES

• Acid pKa: 18.093666
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4880251
• LogD (pH = 7.4): 1.4880288
• Log P: 1.4880288
• Molar Refractivity: 34.9975 cm^3
• Polarizability: 12.30594 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 84 - 86°C
• Hydrophobicity(logP): 1.26

Product Information

• Purity: 95%; 98%