2,6-dichloro-4-ethyl-3,5-dimethoxypyridine

C9H11Cl2NO2 — CID 174951332

IUPAC2,6-dichloro-4-ethyl-3,5-dimethoxypyridine
SMILESCCc1c(OC)c(Cl)nc(Cl)c1OC
InChIInChI=1S/C9H11Cl2NO2/c1-4-5-6(13-2)8(10)12-9(11)7(5)14-3/h4H2,1-3H3
InChIKeyVODZZUBNPWAZGN-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.97
Rot. Bonds3

About 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine

2,6-dichloro-4-ethyl-3,5-dimethoxypyridine (PubChem CID 174951332) has the molecular formula C9H11Cl2NO2 and a molecular weight of 236.10 g/mol. Its IUPAC name is 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine.

Molecular Properties

Compound Name2,6-dichloro-4-ethyl-3,5-dimethoxypyridine
PubChem CID174951332
Molecular FormulaC9H11Cl2NO2
Molecular Weight236.10 g/mol
Exact Mass235.02
IUPAC Name2,6-dichloro-4-ethyl-3,5-dimethoxypyridine
SMILESCCc1c(OC)c(Cl)nc(Cl)c1OC
InChIInChI=1S/C9H11Cl2NO2/c1-4-5-6(13-2)8(10)12-9(11)7(5)14-3/h4H2,1-3H3
InChIKeyVODZZUBNPWAZGN-UHFFFAOYSA-N
XLogP2.97
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine?
The IUPAC name of 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine (CID 174951332) is 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine.
What is the SMILES notation for 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine?
The canonical SMILES for 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine is CCc1c(OC)c(Cl)nc(Cl)c1OC.
What is the InChIKey of 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine?
The InChIKey is VODZZUBNPWAZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2NO2/c1-4-5-6(13-2)8(10)12-9(11)7(5)14-3/h4H2,1-3H3.
What are the key properties of 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine?
2,6-dichloro-4-ethyl-3,5-dimethoxypyridine has a molecular weight of 236.10 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-ethyl-3,5-dimethoxypyridine is sourced from PubChem (CID 174951332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).