2-chloro-6-methoxy-4-(trichloromethyl)pyridine

C7H5Cl4NO — CID 23547

IUPAC2-chloro-6-methoxy-4-(trichloromethyl)pyridine
SMILESCOc1cc(C(Cl)(Cl)Cl)cc(Cl)n1
InChIInChI=1S/C7H5Cl4NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3
InChIKeyRPCKKUFLSMORHB-UHFFFAOYSA-N
MW260.94 g/mol
LogP3.57
Rot. Bonds1

About 2-chloro-6-methoxy-4-(trichloromethyl)pyridine

2-chloro-6-methoxy-4-(trichloromethyl)pyridine (PubChem CID 23547) has the molecular formula C7H5Cl4NO and a molecular weight of 260.94 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-(trichloromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-(trichloromethyl)pyridine
PubChem CID23547
Molecular FormulaC7H5Cl4NO
Molecular Weight260.94 g/mol
Exact Mass258.91
IUPAC Name2-chloro-6-methoxy-4-(trichloromethyl)pyridine
SMILESCOc1cc(C(Cl)(Cl)Cl)cc(Cl)n1
InChIInChI=1S/C7H5Cl4NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3
InChIKeyRPCKKUFLSMORHB-UHFFFAOYSA-N
XLogP3.57
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.94
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-methoxy-4-(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 2-chloro-6-methoxy-4-(trichloromethyl)pyridine?
The IUPAC name of 2-chloro-6-methoxy-4-(trichloromethyl)pyridine (CID 23547) is 2-chloro-6-methoxy-4-(trichloromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-methoxy-4-(trichloromethyl)pyridine?
The canonical SMILES for 2-chloro-6-methoxy-4-(trichloromethyl)pyridine is COc1cc(C(Cl)(Cl)Cl)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxy-4-(trichloromethyl)pyridine?
The InChIKey is RPCKKUFLSMORHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl4NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3.
What are the key properties of 2-chloro-6-methoxy-4-(trichloromethyl)pyridine?
2-chloro-6-methoxy-4-(trichloromethyl)pyridine has a molecular weight of 260.94 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-4-(trichloromethyl)pyridine is sourced from PubChem (CID 23547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).