2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine

C12H7Cl4NO — CID 119013717

IUPAC2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine
SMILESCOc1cc(-c2ccc(Cl)c(Cl)c2Cl)cc(Cl)n1
InChIInChI=1S/C12H7Cl4NO/c1-18-10-5-6(4-9(14)17-10)7-2-3-8(13)12(16)11(7)15/h2-5H,1H3
InChIKeyDPZBMTDYOSMJQU-UHFFFAOYSA-N
MW323.01 g/mol
LogP5.37
Rot. Bonds2

About 2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine

2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine (PubChem CID 119013717) has the molecular formula C12H7Cl4NO and a molecular weight of 323.01 g/mol. Its IUPAC name is 2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine
PubChem CID119013717
Molecular FormulaC12H7Cl4NO
Molecular Weight323.01 g/mol
Exact Mass320.93
IUPAC Name2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine
SMILESCOc1cc(-c2ccc(Cl)c(Cl)c2Cl)cc(Cl)n1
InChIInChI=1S/C12H7Cl4NO/c1-18-10-5-6(4-9(14)17-10)7-2-3-8(13)12(16)11(7)15/h2-5H,1H3
InChIKeyDPZBMTDYOSMJQU-UHFFFAOYSA-N
XLogP5.37
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.01
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)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-(2,3,4-trichlorophenyl)pyridine?
The IUPAC name of 2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine (CID 119013717) is 2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine.
What is the SMILES notation for 2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine?
The canonical SMILES for 2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine is COc1cc(-c2ccc(Cl)c(Cl)c2Cl)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine?
The InChIKey is DPZBMTDYOSMJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl4NO/c1-18-10-5-6(4-9(14)17-10)7-2-3-8(13)12(16)11(7)15/h2-5H,1H3.
What are the key properties of 2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine?
2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine has a molecular weight of 323.01 g/mol, XLogP of 5.37, 2 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-(2,3,4-trichlorophenyl)pyridine is sourced from PubChem (CID 119013717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).