2-methoxyethyl 2-chloropyridine-4-carboxylate

• ChemBase ID: 247742
• Molecular Formular: C9H10ClNO3
• Molecular Mass: 215.6336
• Monoisotopic Mass: 215.03492087
• SMILES: C(=O)(c1cc(ncc1)Cl)OCCOC
• Canonical SMILES: COCCOC(=O)c1ccnc(c1)Cl
• InChI: InChI=1S/C9H10ClNO3/c1-13-4-5-14-9(12)7-2-3-11-8(10)6-7/h2-3,6H,4-5H2,1H3
• InChIKey: PEBWBIQCQNCUGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl 2-chloropyridine-4-carboxylate
• IUPAC Traditional name: 2-methoxyethyl 2-chloropyridine-4-carboxylate
• Synonyms: 2-methoxyethyl 2-chloropyridine-4-carboxylate

Database IDs

• MDL Number: MFCD18840167
• PubChem SID: 164303652
• PubChem CID: 60704526

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5362962
• LogD (pH = 7.4): 1.5362967
• Log P: 1.5362967
• Molar Refractivity: 52.836 cm^3
• Polarizability: 20.25107 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.386

Product Information

• Purity: 95%