3,5-bis[3-(trifluoromethoxy)phenyl]pyridine

C19H11F6NO2 — CID 134623402

IUPAC3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2cncc(-c3cccc(OC(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H11F6NO2/c20-18(21,22)27-16-5-1-3-12(8-16)14-7-15(11-26-10-14)13-4-2-6-17(9-13)28-19(23,24)25/h1-11H
InChIKeyGWSJXBOXRIHMAT-UHFFFAOYSA-N
MW399.29 g/mol
LogP6.21
Rot. Bonds4

About 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine

3,5-bis[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 134623402) has the molecular formula C19H11F6NO2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID134623402
Molecular FormulaC19H11F6NO2
Molecular Weight399.29 g/mol
Exact Mass399.07
IUPAC Name3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2cncc(-c3cccc(OC(F)(F)F)c3)c2)c1
InChIInChI=1S/C19H11F6NO2/c20-18(21,22)27-16-5-1-3-12(8-16)14-7-15(11-26-10-14)13-4-2-6-17(9-13)28-19(23,24)25/h1-11H
InChIKeyGWSJXBOXRIHMAT-UHFFFAOYSA-N
XLogP6.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.29
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134622968
2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
CID 123630878
2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine (CID 134623402) is 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1cccc(-c2cncc(-c3cccc(OC(F)(F)F)c3)c2)c1.
What is the InChIKey of 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is GWSJXBOXRIHMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F6NO2/c20-18(21,22)27-16-5-1-3-12(8-16)14-7-15(11-26-10-14)13-4-2-6-17(9-13)28-19(23,24)25/h1-11H.
What are the key properties of 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine?
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 399.29 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 134623402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).