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

• ChemBase ID: 243722
• Molecular Formular: C10H11N3O
• Molecular Mass: 189.21384
• Monoisotopic Mass: 189.09021199
• SMILES: N1(c2cnc(C#N)cc2)CCOCC1
• Canonical SMILES: N#Cc1ccc(cn1)N1CCOCC1
• InChI: InChI=1S/C10H11N3O/c11-7-9-1-2-10(8-12-9)13-3-5-14-6-4-13/h1-2,8H,3-6H2
• InChIKey: IZIOVIKPDZOZPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)pyridine-2-carbonitrile
• IUPAC Traditional name: 5-(morpholin-4-yl)pyridine-2-carbonitrile
• Synonyms: 5-(morpholin-4-yl)pyridine-2-carbonitrile

Database IDs

• MDL Number: MFCD12022272
• PubChem SID: 164299632
• PubChem CID: 43811106

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.88704294
• LogD (pH = 7.4): 0.887063
• Log P: 0.8870633
• Molar Refractivity: 52.7538 cm^3
• Polarizability: 19.743279 Å^3
• Polar Surface Area: 49.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.48

Product Information

• Purity: 95%