2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine

C9H12ClNO — CID 819992

IUPAC2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CCl)c1C
InChIInChI=1S/C9H12ClNO/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4H2,1-3H3
InChIKeySRKVJDYNPSMHJM-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.45
Rot. Bonds2

About 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine

2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine (PubChem CID 819992) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
PubChem CID819992
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CCl)c1C
InChIInChI=1S/C9H12ClNO/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4H2,1-3H3
InChIKeySRKVJDYNPSMHJM-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 2-(chloromethyl)-4-methoxy-3,5-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 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine (CID 819992) is 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CCl)c1C.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine?
The InChIKey is SRKVJDYNPSMHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine?
2-(chloromethyl)-4-methoxy-3,5-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 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 819992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).