pyridine-3-carboximidamide

• ChemBase ID: 294420
• Molecular Formular: C6H7N3
• Molecular Mass: 121.13988
• Monoisotopic Mass: 121.06399724
• SMILES: N=C(c1cccnc1)N
• Canonical SMILES: NC(=N)c1cccnc1
• InChI: InChI=1S/C6H7N3/c7-6(8)5-2-1-3-9-4-5/h1-4H,(H3,7,8)
• InChIKey: FVGUUJNEJJPLCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-3-carboximidamide
• IUPAC Traditional name: pyridine-3-carboximidamide
• Synonyms: Nicotinimidamide; 3-PyridinecarboxaMidine

Database IDs

• CAS Number: 23255-20-1
• PubChem SID: 180679951
• PubChem CID: 202043

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7368488
• LogD (pH = 7.4): -2.5719368
• Log P: -0.32395813
• Molar Refractivity: 45.5736 cm^3
• Polarizability: 13.120177 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%