3-methylpyridine-4-carboximidamide

• ChemBase ID: 799163
• Molecular Formular: C7H9N3
• Molecular Mass: 135.16646
• Monoisotopic Mass: 135.0796473
• SMILES: c1(c(cncc1)C)C(=N)N
• Canonical SMILES: NC(=N)c1ccncc1C
• InChI: InChI=1S/C7H9N3/c1-5-4-10-3-2-6(5)7(8)9/h2-4H,1H3,(H3,8,9)
• InChIKey: UWIMHJUGORCLEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylpyridine-4-carboximidamide
• IUPAC Traditional name: 3-methylpyridine-4-carboximidamide
• Synonyms: 3-methylisonicotinimidamide

Database IDs

• CAS Number: 754151-38-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2256851
• LogD (pH = 7.4): -2.1949515
• Log P: 0.18946326
• Molar Refractivity: 50.6148 cm^3
• Polarizability: 14.88396 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%