2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine

C13H7Cl3F3NO — CID 134620746

IUPAC2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2cc(Cl)c(Cl)cc2Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C13H7Cl3F3NO/c1-21-12-3-6(8(5-20-12)13(17,18)19)7-2-10(15)11(16)4-9(7)14/h2-5H,1H3
InChIKeyQVYUXMPSXUWDNC-UHFFFAOYSA-N
MW356.56 g/mol
LogP5.74
Rot. Bonds2

About 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine

2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine (PubChem CID 134620746) has the molecular formula C13H7Cl3F3NO and a molecular weight of 356.56 g/mol. Its IUPAC name is 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
PubChem CID134620746
Molecular FormulaC13H7Cl3F3NO
Molecular Weight356.56 g/mol
Exact Mass354.95
IUPAC Name2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine
SMILESCOc1cc(-c2cc(Cl)c(Cl)cc2Cl)c(C(F)(F)F)cn1
InChIInChI=1S/C13H7Cl3F3NO/c1-21-12-3-6(8(5-20-12)13(17,18)19)7-2-10(15)11(16)4-9(7)14/h2-5H,1H3
InChIKeyQVYUXMPSXUWDNC-UHFFFAOYSA-N
XLogP5.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine (CID 134620746) is 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine is COc1cc(-c2cc(Cl)c(Cl)cc2Cl)c(C(F)(F)F)cn1.
What is the InChIKey of 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine?
The InChIKey is QVYUXMPSXUWDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3NO/c1-21-12-3-6(8(5-20-12)13(17,18)19)7-2-10(15)11(16)4-9(7)14/h2-5H,1H3.
What are the key properties of 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine?
2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine has a molecular weight of 356.56 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2,4,5-trichlorophenyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 134620746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).