Basic information
- Standard SMILES
COc1cc(-c2ncccc2CCl)cc(OC)c1OC- InChIKey
GIMCUKXDMWUBAY-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO3
- Average molar mass
- 293.74 g/mol
Names & identifiers
- Preferred name
- 3-Chloromethyl-2-(3,4,5-trimethoxyphenyl)pyridine
- IUPAC
- 3-(chloromethyl)-2-(3,4,5-trimethoxyphenyl)pyridine
Names & synonyms
SCHEMBL4116680GIMCUKXDMWUBAY-UHFFFAOYSA-N3-chloromethyl-2-(3,4,5-trimethoxyphenyl)pyridine3-Chloromethyl-2-(3,4,5-trimethoxyphenyl) pyridine
Database identifiers
- PubChem CID
- 12043146
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 278
Related reactions
26 records
Compound notes
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