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

C16H12Cl10N2O4 — CID 90725396

IUPAC3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine
SMILESCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl.COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl
InChIInChI=1S/2C8H6Cl5NO2/c2*1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h2*1-2H3
InChIKeyLSCKLPOGPCJCEG-UHFFFAOYSA-N
MW650.81 g/mol
LogP8.46
Rot. Bonds4

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

3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine (PubChem CID 90725396) has the molecular formula C16H12Cl10N2O4 and a molecular weight of 650.81 g/mol. Its IUPAC name is 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine
PubChem CID90725396
Molecular FormulaC16H12Cl10N2O4
Molecular Weight650.81 g/mol
Exact Mass645.77
IUPAC Name3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine
SMILESCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl.COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl
InChIInChI=1S/2C8H6Cl5NO2/c2*1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h2*1-2H3
InChIKeyLSCKLPOGPCJCEG-UHFFFAOYSA-N
XLogP8.46
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.81
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine?
The IUPAC name of 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine (CID 90725396) is 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine.
What is the SMILES notation for 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine?
The canonical SMILES for 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine is COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl.COc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC)c1Cl.
What is the InChIKey of 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine?
The InChIKey is LSCKLPOGPCJCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6Cl5NO2/c2*1-15-5-3(9)6(8(11,12)13)14-7(16-2)4(5)10/h2*1-2H3.
What are the key properties of 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine?
3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine has a molecular weight of 650.81 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,4-dimethoxy-6-(trichloromethyl)pyridine is sourced from PubChem (CID 90725396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).