6-(methylamino)pyridine-3-carbonitrile

• ChemBase ID: 43885
• Molecular Formular: C7H7N3
• Molecular Mass: 133.15058
• Monoisotopic Mass: 133.06399724
• SMILES: c1c(cnc(c1)NC)C#N
• Canonical SMILES: CNc1ccc(cn1)C#N
• InChI: InChI=1S/C7H7N3/c1-9-7-3-2-6(4-8)5-10-7/h2-3,5H,1H3,(H,9,10)
• InChIKey: OFCRHTLXDCWARW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methylamino)pyridine-3-carbonitrile
• IUPAC Traditional name: 6-(methylamino)pyridine-3-carbonitrile
• Synonyms: 6-(Methylamino)nicotinonitrile; 6-(Methylamino)pyridine-3-carbonitrile

Database IDs

• CAS Number: 261715-36-0
• MDL Number: MFCD08689756
• PubChem SID: 162048648
• PubChem CID: 17860899

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6781251
• LogD (pH = 7.4): 0.6788954
• Log P: 0.67890525
• Molar Refractivity: 40.13 cm^3
• Polarizability: 14.240573 Å^3
• Polar Surface Area: 48.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131 - 133 °C; 131-133°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%