3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine

C9H12ClNO — CID 61257874

IUPAC3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine
SMILESCOc1nc(C)cc(C)c1CCl
InChIInChI=1S/C9H12ClNO/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,5H2,1-3H3
InChIKeyKMYOXZVMTBCJAT-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.45
Rot. Bonds2

About 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine

3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine (PubChem CID 61257874) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine
PubChem CID61257874
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine
SMILESCOc1nc(C)cc(C)c1CCl
InChIInChI=1S/C9H12ClNO/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,5H2,1-3H3
InChIKeyKMYOXZVMTBCJAT-UHFFFAOYSA-N
XLogP2.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine?
The IUPAC name of 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine (CID 61257874) is 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine.
What is the SMILES notation for 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine?
The canonical SMILES for 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine is COc1nc(C)cc(C)c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine?
The InChIKey is KMYOXZVMTBCJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,5H2,1-3H3.
What are the key properties of 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine?
3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine has a molecular weight of 185.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine is sourced from PubChem (CID 61257874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).