3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine

C19H13F4NO — CID 135293557

IUPAC3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cncc(-c3ccc(C(F)(F)F)c(F)c3)c2)cc1
InChIInChI=1S/C19H13F4NO/c1-25-16-5-2-12(3-6-16)14-8-15(11-24-10-14)13-4-7-17(18(20)9-13)19(21,22)23/h2-11H,1H3
InChIKeyWGTKUAJGSFAAPR-UHFFFAOYSA-N
MW347.31 g/mol
LogP5.58
Rot. Bonds3

About 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine

3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine (PubChem CID 135293557) has the molecular formula C19H13F4NO and a molecular weight of 347.31 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine
PubChem CID135293557
Molecular FormulaC19H13F4NO
Molecular Weight347.31 g/mol
Exact Mass347.09
IUPAC Name3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine
SMILESCOc1ccc(-c2cncc(-c3ccc(C(F)(F)F)c(F)c3)c2)cc1
InChIInChI=1S/C19H13F4NO/c1-25-16-5-2-12(3-6-16)14-8-15(11-24-10-14)13-4-7-17(18(20)9-13)19(21,22)23/h2-11H,1H3
InChIKeyWGTKUAJGSFAAPR-UHFFFAOYSA-N
XLogP5.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.31
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine (CID 135293557) is 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine is COc1ccc(-c2cncc(-c3ccc(C(F)(F)F)c(F)c3)c2)cc1.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine?
The InChIKey is WGTKUAJGSFAAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4NO/c1-25-16-5-2-12(3-6-16)14-8-15(11-24-10-14)13-4-7-17(18(20)9-13)19(21,22)23/h2-11H,1H3.
What are the key properties of 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine?
3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine has a molecular weight of 347.31 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(trifluoromethyl)phenyl]-5-(4-methoxyphenyl)pyridine is sourced from PubChem (CID 135293557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).