(5-fluoropyridin-2-yl)methanamine

• ChemBase ID: 239317
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: n1c(ccc(c1)F)CN
• Canonical SMILES: NCc1ccc(cn1)F
• InChI: InChI=1S/C6H7FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H,3,8H2
• InChIKey: OALKYGZLLCDVEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoropyridin-2-yl)methanamine
• IUPAC Traditional name: (5-fluoropyridin-2-yl)methanamine
• Synonyms: (5-fluoropyridin-2-yl)methanamine

Database IDs

• CAS Number: 561297-96-9
• MDL Number: MFCD10697659
• PubChem SID: 164295227
• PubChem CID: 45079543

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6108413
• LogD (pH = 7.4): -1.0238966
• Log P: 0.10551565
• Molar Refractivity: 32.0687 cm^3
• Polarizability: 12.468 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.176

Product Information

• Purity: 95%; 98%