ethyl 1-(pyridin-4-yl)cyclopropane-1-carboxylate

• ChemBase ID: 292329
• Molecular Formular: C11H13NO2
• Molecular Mass: 191.22642
• Monoisotopic Mass: 191.09462866
• SMILES: CCOC(=O)C1(CC1)c1ccncc1
• Canonical SMILES: CCOC(=O)C1(CC1)c1ccncc1
• InChI: InChI=1S/C11H13NO2/c1-2-14-10(13)11(5-6-11)9-3-7-12-8-4-9/h3-4,7-8H,2,5-6H2,1H3
• InChIKey: SXLVZKGJKLGCJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1-(pyridin-4-yl)cyclopropane-1-carboxylate
• IUPAC Traditional name: ethyl 1-(pyridin-4-yl)cyclopropane-1-carboxylate
• Synonyms: Ethyl 1-(pyridin-4-yl)cyclopropanecarboxylate

Database IDs

• CAS Number: 858035-95-7
• PubChem SID: 180677860
• PubChem CID: 54329705

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4213481
• LogD (pH = 7.4): 1.5296727
• Log P: 1.5312984
• Molar Refractivity: 51.9997 cm^3
• Polarizability: 20.511946 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%