6-methylpyridine-3-carboximidamide

• ChemBase ID: 289685
• Molecular Formular: C7H9N3
• Molecular Mass: 135.16646
• Monoisotopic Mass: 135.0796473
• SMILES: N=C(c1ccc(C)nc1)N
• Canonical SMILES: Cc1ccc(cn1)C(=N)N
• InChI: InChI=1S/C7H9N3/c1-5-2-3-6(4-10-5)7(8)9/h2-4H,1H3,(H3,8,9)
• InChIKey: PPLMEHNMGUDFEG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridine-3-carboximidamide
• IUPAC Traditional name: 6-methylpyridine-3-carboximidamide
• Synonyms: 6-Methylpyridine-3-carboxamidine

Database IDs

• CAS Number: 201937-20-4
• PubChem SID: 180675216
• PubChem CID: 13878901

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6070428
• LogD (pH = 7.4): -2.5341158
• Log P: -0.19258797
• Molar Refractivity: 50.1651 cm^3
• Polarizability: 14.884829 Å^3
• Polar Surface Area: 62.76 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%