2,6-dimethoxy-4-(trichloromethyl)pyridine

C8H8Cl3NO2 — CID 14006435

IUPAC2,6-dimethoxy-4-(trichloromethyl)pyridine
SMILESCOc1cc(C(Cl)(Cl)Cl)cc(OC)n1
InChIInChI=1S/C8H8Cl3NO2/c1-13-6-3-5(8(9,10)11)4-7(12-6)14-2/h3-4H,1-2H3
InChIKeyBSWVWKDFQNOPKF-UHFFFAOYSA-N
MW256.52 g/mol
LogP2.93
Rot. Bonds2

About 2,6-dimethoxy-4-(trichloromethyl)pyridine

2,6-dimethoxy-4-(trichloromethyl)pyridine (PubChem CID 14006435) has the molecular formula C8H8Cl3NO2 and a molecular weight of 256.52 g/mol. Its IUPAC name is 2,6-dimethoxy-4-(trichloromethyl)pyridine.

Molecular Properties

Compound Name2,6-dimethoxy-4-(trichloromethyl)pyridine
PubChem CID14006435
Molecular FormulaC8H8Cl3NO2
Molecular Weight256.52 g/mol
Exact Mass254.96
IUPAC Name2,6-dimethoxy-4-(trichloromethyl)pyridine
SMILESCOc1cc(C(Cl)(Cl)Cl)cc(OC)n1
InChIInChI=1S/C8H8Cl3NO2/c1-13-6-3-5(8(9,10)11)4-7(12-6)14-2/h3-4H,1-2H3
InChIKeyBSWVWKDFQNOPKF-UHFFFAOYSA-N
XLogP2.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,6-dimethoxy-4-(trichloromethyl)pyridine?
The IUPAC name of 2,6-dimethoxy-4-(trichloromethyl)pyridine (CID 14006435) is 2,6-dimethoxy-4-(trichloromethyl)pyridine.
What is the SMILES notation for 2,6-dimethoxy-4-(trichloromethyl)pyridine?
The canonical SMILES for 2,6-dimethoxy-4-(trichloromethyl)pyridine is COc1cc(C(Cl)(Cl)Cl)cc(OC)n1.
What is the InChIKey of 2,6-dimethoxy-4-(trichloromethyl)pyridine?
The InChIKey is BSWVWKDFQNOPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO2/c1-13-6-3-5(8(9,10)11)4-7(12-6)14-2/h3-4H,1-2H3.
What are the key properties of 2,6-dimethoxy-4-(trichloromethyl)pyridine?
2,6-dimethoxy-4-(trichloromethyl)pyridine has a molecular weight of 256.52 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-(trichloromethyl)pyridine is sourced from PubChem (CID 14006435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).