methyl 1-(pyridin-2-yl)cyclopropane-1-carboxylate

• ChemBase ID: 291770
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: COC(=O)C1(CC1)c1ncccc1
• Canonical SMILES: COC(=O)C1(CC1)c1ccccn1
• InChI: InChI=1S/C10H11NO2/c1-13-9(12)10(5-6-10)8-4-2-3-7-11-8/h2-4,7H,5-6H2,1H3
• InChIKey: TVUHDBRCDCCESH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1-(pyridin-2-yl)cyclopropane-1-carboxylate
• IUPAC Traditional name: methyl 1-(pyridin-2-yl)cyclopropane-1-carboxylate
• Synonyms: Methyl 1-(pyridin-2-yl)cyclopropanecarboxylate

Database IDs

• CAS Number: 162960-27-2
• PubChem SID: 180677301
• PubChem CID: 18975708

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5437257
• LogD (pH = 7.4): 1.5601273
• Log P: 1.5603408
• Molar Refractivity: 46.8791 cm^3
• Polarizability: 18.674944 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%