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

C19H12Cl2F3NO — CID 8812883

IUPAC4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(OCc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H12Cl2F3NO/c20-15-7-6-12(8-16(15)21)11-26-14-9-17(13-4-2-1-3-5-13)25-18(10-14)19(22,23)24/h1-10H,11H2
InChIKeyWJQVFGPAQHPRAX-UHFFFAOYSA-N
MW398.21 g/mol
LogP6.65
Rot. Bonds4

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

4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine (PubChem CID 8812883) has the molecular formula C19H12Cl2F3NO and a molecular weight of 398.21 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine
PubChem CID8812883
Molecular FormulaC19H12Cl2F3NO
Molecular Weight398.21 g/mol
Exact Mass397.02
IUPAC Name4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(OCc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H12Cl2F3NO/c20-15-7-6-12(8-16(15)21)11-26-14-9-17(13-4-2-1-3-5-13)25-18(10-14)19(22,23)24/h1-10H,11H2
InChIKeyWJQVFGPAQHPRAX-UHFFFAOYSA-N
XLogP6.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.21
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine (CID 8812883) is 4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine is FC(F)(F)c1cc(OCc2ccc(Cl)c(Cl)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine?
The InChIKey is WJQVFGPAQHPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F3NO/c20-15-7-6-12(8-16(15)21)11-26-14-9-17(13-4-2-1-3-5-13)25-18(10-14)19(22,23)24/h1-10H,11H2.
What are the key properties of 4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine?
4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine has a molecular weight of 398.21 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methoxy]-2-phenyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 8812883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).