5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine

C13H7F6NO — CID 134628617

IUPAC5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cccc(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)11-5-4-9(7-20-11)8-2-1-3-10(6-8)21-13(17,18)19/h1-7H
InChIKeyUDQLRJVIUFLTAA-UHFFFAOYSA-N
MW307.19 g/mol
LogP4.67
Rot. Bonds2

About 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine

5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 134628617) has the molecular formula C13H7F6NO and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
PubChem CID134628617
Molecular FormulaC13H7F6NO
Molecular Weight307.19 g/mol
Exact Mass307.04
IUPAC Name5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cccc(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C13H7F6NO/c14-12(15,16)11-5-4-9(7-20-11)8-2-1-3-10(6-8)21-13(17,18)19/h1-7H
InChIKeyUDQLRJVIUFLTAA-UHFFFAOYSA-N
XLogP4.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 20709419
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 134626972
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
5-[2-[3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]pyridin-2-amine
CID 162507379
2-[4-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenoxy]ethanamine
CID 163408376

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine (CID 134628617) is 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine is FC(F)(F)Oc1cccc(-c2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is UDQLRJVIUFLTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6NO/c14-12(15,16)11-5-4-9(7-20-11)8-2-1-3-10(6-8)21-13(17,18)19/h1-7H.
What are the key properties of 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 307.19 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134628617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).