2-chloro-3-methoxypyridine

• ChemBase ID: 67455
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: c1(c(cccn1)OC)Cl
• Canonical SMILES: COc1cccnc1Cl
• InChI: InChI=1S/C6H6ClNO/c1-9-5-3-2-4-8-6(5)7/h2-4H,1H3
• InChIKey: CCVNZKGBNUPYPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 52605-96-6
• EC Number: 258-039-6
• MDL Number: MFCD03426022
• Beilstein Number: 115568
• PubChem SID: 162033190
• PubChem CID: 104252

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4221065
• LogD (pH = 7.4): 1.4221238
• Log P: 1.422124
• Molar Refractivity: 36.2304 cm^3
• Polarizability: 13.924987 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-48°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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+%; 97%; 98%