2-amino-4,6-dimethylpyridine-3-carbonitrile

• ChemBase ID: 118724
• Molecular Formular: C8H9N3
• Molecular Mass: 147.17716
• Monoisotopic Mass: 147.0796473
• SMILES: c1(c(nc(cc1C)C)N)C#N
• Canonical SMILES: N#Cc1c(C)cc(nc1N)C
• InChI: InChI=1S/C8H9N3/c1-5-3-6(2)11-8(10)7(5)4-9/h3H,1-2H3,(H2,10,11)
• InChIKey: GCJFVYFSZCMYLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4,6-dimethylpyridine-3-carbonitrile
• IUPAC Traditional name: 2-amino-4,6-dimethylpyridine-3-carbonitrile
• Synonyms: 2-amino-4,6-dimethylnicotinonitrile

Database IDs

• CAS Number: 5468-34-8
• MDL Number: MFCD01096703
• PubChem SID: 162102586
• PubChem CID: 230471

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.91954774
• LogD (pH = 7.4): 1.0205363
• Log P: 1.0219927
• Molar Refractivity: 44.2693 cm^3
• Polarizability: 15.929951 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%