2-(cyclopropylmethoxy)pyridine-3-carbonitrile

• ChemBase ID: 298133
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1cc(c(nc1)OCC1CC1)C#N
• Canonical SMILES: N#Cc1cccnc1OCC1CC1
• InChI: InChI=1S/C10H10N2O/c11-6-9-2-1-5-12-10(9)13-7-8-3-4-8/h1-2,5,8H,3-4,7H2
• InChIKey: TVSZEQWPVRJXIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopropylmethoxy)pyridine-3-carbonitrile
• IUPAC Traditional name: 2-(cyclopropylmethoxy)pyridine-3-carbonitrile
• Synonyms: 2-(Cyclopropylmethoxy)pyridine-3-carbonitrile; 2-(Cyclopropylmethoxy)nicotinonitrile; 3-Cyano-2-(cyclopropylmethoxy)pyridine; 3-氰基-2-(环丙基甲氧基)吡啶

Database IDs

• MDL Number: MFCD11136693
• PubChem SID: 180683664
• PubChem CID: 28414002

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8290328
• LogD (pH = 7.4): 1.8290331
• Log P: 1.8290331
• Molar Refractivity: 48.3414 cm^3
• Polarizability: 18.581766 Å^3
• Polar Surface Area: 45.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 97+%