(2-fluoropyridin-3-yl)methanamine

• ChemBase ID: 68162
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: c1(c(cccn1)CN)F
• Canonical SMILES: NCc1cccnc1F
• InChI: InChI=1S/C6H7FN2/c7-6-5(4-8)2-1-3-9-6/h1-3H,4,8H2
• InChIKey: ORBSSWJRHPFEBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoropyridin-3-yl)methanamine
• IUPAC Traditional name: (2-fluoropyridin-3-yl)methanamine
• Synonyms: 2-Fluoro-3-pyridinemethanamine; (2-Fluoropyridin-3-yl)methanamine

Database IDs

• CAS Number: 205744-16-7
• MDL Number: MFCD06213866
• PubChem SID: 162033894
• PubChem CID: 45079719

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3870294
• LogD (pH = 7.4): -0.8888009
• Log P: 0.41797444
• Molar Refractivity: 33.6056 cm^3
• Polarizability: 12.466704 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%