5-chloro-2-fluoropyridin-3-amine

• ChemBase ID: 309495
• Molecular Formular: C5H4ClFN2
• Molecular Mass: 146.5500632
• Monoisotopic Mass: 146.00470404
• SMILES: n1c(c(cc(c1)Cl)N)F
• Canonical SMILES: Clc1cnc(c(c1)N)F
• InChI: InChI=1S/C5H4ClFN2/c6-3-1-4(8)5(7)9-2-3/h1-2H,8H2
• InChIKey: GXCDEVYNVSPBLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-fluoropyridin-3-amine
• IUPAC Traditional name: 5-chloro-2-fluoropyridin-3-amine
• Synonyms: 3-AMINO-5-CHLORO-2-FLUOROPYRIDINE; 5-chloro-2-fluoro-3-pyridinamine

Database IDs

• CAS Number: 103999-78-6
• MDL Number: MFCD06659521

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0673248
• LogD (pH = 7.4): 1.0673248
• Log P: 1.0673248
• Molar Refractivity: 34.6374 cm^3
• Polarizability: 12.263035 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%