2-chloro-5-fluoropyridin-3-amine

• ChemBase ID: 293709
• Molecular Formular: C5H4ClFN2
• Molecular Mass: 146.5500632
• Monoisotopic Mass: 146.00470404
• SMILES: Fc1cnc(Cl)c(N)c1
• Canonical SMILES: Fc1cnc(c(c1)N)Cl
• InChI: InChI=1S/C5H4ClFN2/c6-5-4(8)1-3(7)2-9-5/h1-2H,8H2
• InChIKey: MSCZFRUXABFTJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-fluoropyridin-3-amine
• IUPAC Traditional name: 2-chloro-5-fluoropyridin-3-amine
• Synonyms: 3-Amino-2-chloro-5-fluoropyridine

Database IDs

• CAS Number: 884495-37-8
• PubChem SID: 180679240
• PubChem CID: 44754868

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.89357114
• LogD (pH = 7.4): 0.8935712
• Log P: 0.8935712
• Molar Refractivity: 34.684 cm^3
• Polarizability: 12.307199 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%