2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine

C13H8Cl2F3NO — CID 118841877

IUPAC2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(C(F)(F)F)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c1-20-10-4-5-11(13(16,17)18)19-12(10)8-3-2-7(14)6-9(8)15/h2-6H,1H3
InChIKeyXYNOPBQITISFJB-UHFFFAOYSA-N
MW322.11 g/mol
LogP5.08
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine

2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine (PubChem CID 118841877) has the molecular formula C13H8Cl2F3NO and a molecular weight of 322.11 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine
PubChem CID118841877
Molecular FormulaC13H8Cl2F3NO
Molecular Weight322.11 g/mol
Exact Mass320.99
IUPAC Name2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(C(F)(F)F)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2F3NO/c1-20-10-4-5-11(13(16,17)18)19-12(10)8-3-2-7(14)6-9(8)15/h2-6H,1H3
InChIKeyXYNOPBQITISFJB-UHFFFAOYSA-N
XLogP5.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.11
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine (CID 118841877) is 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine is COc1ccc(C(F)(F)F)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine?
The InChIKey is XYNOPBQITISFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2F3NO/c1-20-10-4-5-11(13(16,17)18)19-12(10)8-3-2-7(14)6-9(8)15/h2-6H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine?
2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine has a molecular weight of 322.11 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118841877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).