2-chloro-4-(cyclopropylmethoxy)pyridine

• ChemBase ID: 248997
• Molecular Formular: C9H10ClNO
• Molecular Mass: 183.6348
• Monoisotopic Mass: 183.04509163
• SMILES: c1c(nccc1OCC1CC1)Cl
• Canonical SMILES: Clc1nccc(c1)OCC1CC1
• InChI: InChI=1S/C9H10ClNO/c10-9-5-8(3-4-11-9)12-6-7-1-2-7/h3-5,7H,1-2,6H2
• InChIKey: PUVPGNFCODJHCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(cyclopropylmethoxy)pyridine
• IUPAC Traditional name: 2-chloro-4-(cyclopropylmethoxy)pyridine
• Synonyms: 2-chloro-4-(cyclopropylmethoxy)pyridine

Database IDs

• MDL Number: MFCD18885828
• PubChem SID: 164304907
• PubChem CID: 63778278

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2021995
• LogD (pH = 7.4): 2.202695
• Log P: 2.2027013
• Molar Refractivity: 48.1724 cm^3
• Polarizability: 18.686539 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.792

Product Information

• Purity: 95%