6-aminopyridine-2-carbonitrile

• ChemBase ID: 70974
• Molecular Formular: C6H5N3
• Molecular Mass: 119.124
• Monoisotopic Mass: 119.04834718
• SMILES: c1(cccc(n1)N)C#N
• Canonical SMILES: N#Cc1cccc(n1)N
• InChI: InChI=1S/C6H5N3/c7-4-5-2-1-3-6(8)9-5/h1-3H,(H2,8,9)
• InChIKey: KSQSBNSABUZDMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminopyridine-2-carbonitrile
• IUPAC Traditional name: 6-aminopyridine-2-carbonitrile
• Synonyms: 6-Aminopicolinonitrile

Database IDs

• CAS Number: 370556-44-8
• MDL Number: MFCD11044252
• PubChem SID: 162036682
• PubChem CID: 564298

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.76229954
• LogD (pH = 7.4): 0.76304203
• Log P: 0.76305145
• Molar Refractivity: 34.2646 cm^3
• Polarizability: 12.407857 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%