(2-chloro-5-fluoropyridin-4-yl)methanamine

• ChemBase ID: 801452
• Molecular Formular: C6H6ClFN2
• Molecular Mass: 160.5766432
• Monoisotopic Mass: 160.0203541
• SMILES: NCc1cc(ncc1F)Cl
• Canonical SMILES: NCc1cc(Cl)ncc1F
• InChI: InChI=1S/C6H6ClFN2/c7-6-1-4(2-9)5(8)3-10-6/h1,3H,2,9H2
• InChIKey: SENRYKNPHHVKHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-5-fluoropyridin-4-yl)methanamine
• IUPAC Traditional name: (2-chloro-5-fluoropyridin-4-yl)methanamine
• Synonyms: (2-CHLORO-5-FLUOROPYRIDIN-4-YL)METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9620178
• LogD (pH = 7.4): -0.47069514
• Log P: 0.8482656
• Molar Refractivity: 38.457 cm^3
• Polarizability: 14.463691 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%