4-chloro-2-ethoxypyridine

• ChemBase ID: 70296
• Molecular Formular: C7H8ClNO
• Molecular Mass: 157.59752
• Monoisotopic Mass: 157.02944156
• SMILES: c1(cc(ccn1)Cl)OCC
• Canonical SMILES: CCOc1cc(Cl)ccn1
• InChI: InChI=1S/C7H8ClNO/c1-2-10-7-5-6(8)3-4-9-7/h3-5H,2H2,1H3
• InChIKey: XOSONVLDQZMCBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-ethoxypyridine
• IUPAC Traditional name: 4-chloro-2-ethoxypyridine
• Synonyms: 4-Chloro-2-ethoxypyridine

Database IDs

• CAS Number: 856851-45-1
• MDL Number: MFCD10574683
• PubChem SID: 162036019
• PubChem CID: 26338162

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1531167
• LogD (pH = 7.4): 2.153211
• Log P: 2.1532123
• Molar Refractivity: 40.2312 cm^3
• Polarizability: 15.685185 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%