5-amino-3-fluoropyridine-2-carbonitrile

• ChemBase ID: 97851
• Molecular Formular: C6H4FN3
• Molecular Mass: 137.1144632
• Monoisotopic Mass: 137.03892536
• SMILES: n1c(c(cc(c1)N)F)C#N
• Canonical SMILES: N#Cc1ncc(cc1F)N
• InChI: InChI=1S/C6H4FN3/c7-5-1-4(9)3-10-6(5)2-8/h1,3H,9H2
• InChIKey: BDXBWOYRUFHMKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-3-fluoropyridine-2-carbonitrile
• IUPAC Traditional name: 5-amino-3-fluoropyridine-2-carbonitrile
• Synonyms: 5-Amino-2-cyano-3-fluoropyridine; 5-Amino-3-fluoropicolinonitrile; 5-Amino-3-fluoropyridine-2-carbonitrile; 5-AMINO-3-FLUORO-2-PYRIDINECARBONITRILE

Database IDs

• CAS Number: 573763-07-2
• PubChem SID: 162084379
• PubChem CID: 21875365

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.31129563
• LogD (pH = 7.4): 0.3112959
• Log P: 0.3112959
• Molar Refractivity: 34.1675 cm^3
• Polarizability: 12.15612 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon

Product Information

• Purity: 98%