4-chloro-2-methoxypyridine

• ChemBase ID: 67509
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: c1(cc(ccn1)Cl)OC
• Canonical SMILES: COc1cc(Cl)ccn1
• InChI: InChI=1S/C6H6ClNO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
• InChIKey: WTDUQQXDOAPXAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 72141-44-7
• MDL Number: MFCD06738656
• PubChem SID: 162033244
• PubChem CID: 22638510

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7963012
• LogD (pH = 7.4): 1.796403
• Log P: 1.7964044
• Molar Refractivity: 35.4826 cm^3
• Polarizability: 13.85474 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.219

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%