2-amino-5-methylpyridine-3-carbonitrile

• ChemBase ID: 294195
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: Cc1cnc(N)c(c1)C#N
• Canonical SMILES: N#Cc1cc(C)cnc1N
• InChI: InChI=1S/C7H7N3/c1-5-2-6(3-8)7(9)10-4-5/h2,4H,1H3,(H2,9,10)
• InChIKey: OOKFORLRLLVDOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methylpyridine-3-carbonitrile
• IUPAC Traditional name: 2-amino-5-methylpyridine-3-carbonitrile
• Synonyms: 2-Amino-5-methylnicotinonitrile

Database IDs

• CAS Number: 38076-78-7
• MDL Number: MFCD07779068
• PubChem SID: 180679726
• PubChem CID: 13070842

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8851629
• LogD (pH = 7.4): 0.89055336
• Log P: 0.89062256
• Molar Refractivity: 39.6778 cm^3
• Polarizability: 14.166274 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 96%