N-amino-4-fluoropyridine-2-carboximidamide

• ChemBase ID: 278555
• Molecular Formular: C6H7FN4
• Molecular Mass: 154.1449832
• Monoisotopic Mass: 154.06547446
• SMILES: C(=N)(c1cc(ccn1)F)NN
• Canonical SMILES: NNC(=N)c1cc(F)ccn1
• InChI: InChI=1S/C6H7FN4/c7-4-1-2-10-5(3-4)6(8)11-9/h1-3H,9H2,(H2,8,11)
• InChIKey: FRLHPHGCVBMHMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-amino-4-fluoropyridine-2-carboximidamide
• IUPAC Traditional name: N-amino-4-fluoropyridine-2-carboximidamide
• Synonyms: N-amino-4-fluoropyridine-2-carboximidamide

Database IDs

• MDL Number: MFCD19982594
• PubChem SID: 164334465
• PubChem CID: 54594918

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.3499597
• LogD (pH = 7.4): -0.1307733
• Log P: -0.027048234
• Molar Refractivity: 60.3949 cm^3
• Polarizability: 14.280521 Å^3
• Polar Surface Area: 74.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.834

Product Information

• Purity: 95%