6-(morpholin-4-yl)pyridine-2-carbonitrile

• ChemBase ID: 101216
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: c1(nc(C#N)ccc1)N1CCOCC1
• Canonical SMILES: N#Cc1cccc(n1)N1CCOCC1
• InChI: InChI=1S/C10H11N3O/c11-8-9-2-1-3-10(12-9)13-4-6-14-7-5-13/h1-3H,4-7H2
• InChIKey: WKDAOTSKEPJLCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(morpholin-4-yl)pyridine-2-carbonitrile
• IUPAC Traditional name: 6-(morpholin-4-yl)pyridine-2-carbonitrile
• Synonyms: 6-morpholin-4-ylpyridine-2-carbonitrile

Database IDs

• CAS Number: 868755-53-7
• MDL Number: MFCD08690244
• PubChem SID: 162087257
• PubChem CID: 18525738

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4812441
• LogD (pH = 7.4): 1.4815173
• Log P: 1.4815209
• Molar Refractivity: 53.0673 cm^3
• Polarizability: 19.744162 Å^3
• Polar Surface Area: 49.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%