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

C10H14ClNO — CID 22151459

IUPAC2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine
SMILESCCOc1c(C)cnc(CCl)c1C
InChIInChI=1S/C10H14ClNO/c1-4-13-10-7(2)6-12-9(5-11)8(10)3/h6H,4-5H2,1-3H3
InChIKeyLWZZQNCLSKXNPK-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.84
Rot. Bonds3

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

2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine (PubChem CID 22151459) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine
PubChem CID22151459
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine
SMILESCCOc1c(C)cnc(CCl)c1C
InChIInChI=1S/C10H14ClNO/c1-4-13-10-7(2)6-12-9(5-11)8(10)3/h6H,4-5H2,1-3H3
InChIKeyLWZZQNCLSKXNPK-UHFFFAOYSA-N
XLogP2.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.84
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 2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine?
The IUPAC name of 2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine (CID 22151459) is 2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine is CCOc1c(C)cnc(CCl)c1C.
What is the InChIKey of 2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine?
The InChIKey is LWZZQNCLSKXNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-4-13-10-7(2)6-12-9(5-11)8(10)3/h6H,4-5H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine?
2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine has a molecular weight of 199.68 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-ethoxy-3,5-dimethylpyridine is sourced from PubChem (CID 22151459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).