3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine

C9H6Cl5NO — CID 58685813

IUPAC3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine
SMILESC=Cc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C9H6Cl5NO/c1-3-4-5(10)7(9(12,13)14)15-8(16-2)6(4)11/h3H,1H2,2H3
InChIKeyICKYZUOEJGAAOV-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.87
Rot. Bonds2

About 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine

3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine (PubChem CID 58685813) has the molecular formula C9H6Cl5NO and a molecular weight of 321.42 g/mol. Its IUPAC name is 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine
PubChem CID58685813
Molecular FormulaC9H6Cl5NO
Molecular Weight321.42 g/mol
Exact Mass318.89
IUPAC Name3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine
SMILESC=Cc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl
InChIInChI=1S/C9H6Cl5NO/c1-3-4-5(10)7(9(12,13)14)15-8(16-2)6(4)11/h3H,1H2,2H3
InChIKeyICKYZUOEJGAAOV-UHFFFAOYSA-N
XLogP4.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine 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 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine?
The IUPAC name of 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine (CID 58685813) is 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine.
What is the SMILES notation for 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine?
The canonical SMILES for 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine is C=Cc1c(Cl)c(OC)nc(C(Cl)(Cl)Cl)c1Cl.
What is the InChIKey of 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine?
The InChIKey is ICKYZUOEJGAAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl5NO/c1-3-4-5(10)7(9(12,13)14)15-8(16-2)6(4)11/h3H,1H2,2H3.
What are the key properties of 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine?
3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine has a molecular weight of 321.42 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethenyl-2-methoxy-6-(trichloromethyl)pyridine is sourced from PubChem (CID 58685813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).