3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine

C14H12F3NO — CID 174511445

IUPAC3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
SMILESCCOc1ccc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-2-19-13-6-5-10(8-12(13)14(15,16)17)11-4-3-7-18-9-11/h3-9H,2H2,1H3
InChIKeyPWGOYDYIBMJDSL-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.17
Rot. Bonds3

About 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine

3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine (PubChem CID 174511445) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
PubChem CID174511445
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine
SMILESCCOc1ccc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-2-19-13-6-5-10(8-12(13)14(15,16)17)11-4-3-7-18-9-11/h3-9H,2H2,1H3
InChIKeyPWGOYDYIBMJDSL-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-methoxy-3-(trifluoromethyl)phenyl]pyridine
CID 46317327
ethyl 5-pyridin-3-yl-3-(trifluoromethyl)pyridine-2-carboxylate
CID 46317787
3-ethoxy-2-iodo-5-pyridin-3-ylpyridine
CID 86036599
2-ethoxy-4-pyridin-3-ylbenzamide
CID 155568101
3-[3-(chloromethyl)-4-(trifluoromethyl)phenyl]pyridine
CID 46316213
2-(bromomethyl)-5-pyridin-3-yl-3-(trifluoromethyl)pyridine
CID 131869904
[5-pyridin-3-yl-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870150
ethyl 5-pyridin-3-yl-2-(trifluoromethoxy)benzoate
CID 46317929
2-(3,4-diethoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 655421
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
ethene;2-propyl-4-pyridin-3-yl-6-(trifluoromethyl)aniline
CID 143888698
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine (CID 174511445) is 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine is CCOc1ccc(-c2cccnc2)cc1C(F)(F)F.
What is the InChIKey of 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is PWGOYDYIBMJDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-2-19-13-6-5-10(8-12(13)14(15,16)17)11-4-3-7-18-9-11/h3-9H,2H2,1H3.
What are the key properties of 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine?
3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 267.25 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethoxy-3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 174511445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).