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

C9H12ClNO — CID 134360414

IUPAC6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine
SMILESCOc1c(C)cc(CCl)nc1C
InChIInChI=1S/C9H12ClNO/c1-6-4-8(5-10)11-7(2)9(6)12-3/h4H,5H2,1-3H3
InChIKeyRELSCDQOQBPDFZ-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.45
Rot. Bonds2

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

6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine (PubChem CID 134360414) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine.

Molecular Properties

Compound Name6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine
PubChem CID134360414
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine
SMILESCOc1c(C)cc(CCl)nc1C
InChIInChI=1S/C9H12ClNO/c1-6-4-8(5-10)11-7(2)9(6)12-3/h4H,5H2,1-3H3
InChIKeyRELSCDQOQBPDFZ-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine?
The IUPAC name of 6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine (CID 134360414) is 6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine.
What is the SMILES notation for 6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine?
The canonical SMILES for 6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine is COc1c(C)cc(CCl)nc1C.
What is the InChIKey of 6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine?
The InChIKey is RELSCDQOQBPDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-4-8(5-10)11-7(2)9(6)12-3/h4H,5H2,1-3H3.
What are the key properties of 6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine?
6-(chloromethyl)-3-methoxy-2,4-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 6-(chloromethyl)-3-methoxy-2,4-dimethylpyridine is sourced from PubChem (CID 134360414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).