3-chloro-2-methoxypyridine

• ChemBase ID: 92137
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: n1c(c(ccc1)Cl)OC
• Canonical SMILES: COc1ncccc1Cl
• InChI: InChI=1S/C6H6ClNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
• InChIKey: MSICGKUDCSUMJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-2-methoxypyridine
• IUPAC Traditional name: 3-chloro-2-methoxypyridine
• Synonyms: 3-Chloro-2-methoxypyridine; 3-Chloro-2-methoxypyridine 98%; 3-Chloro-2-methoxypyridine; 3-氯-2-甲氧基吡啶

Database IDs

• CAS Number: 13472-84-9
• MDL Number: MFCD03095227
• PubChem SID: 162078835
• PubChem CID: 13295749

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.796376
• LogD (pH = 7.4): 1.796404
• Log P: 1.7964044
• Molar Refractivity: 35.4826 cm^3
• Polarizability: 13.882471 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 95+%; 98%