4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine

C13H6F7N — CID 118850193

IUPAC4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
SMILESFc1ccnc(-c2ccccc2C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C13H6F7N/c14-9-5-6-21-11(10(9)13(18,19)20)7-3-1-2-4-8(7)12(15,16)17/h1-6H
InChIKeyUVNNLMUMLIOCKY-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.93
Rot. Bonds1

About 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine

4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 118850193) has the molecular formula C13H6F7N and a molecular weight of 309.18 g/mol. Its IUPAC name is 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
PubChem CID118850193
Molecular FormulaC13H6F7N
Molecular Weight309.18 g/mol
Exact Mass309.04
IUPAC Name4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
SMILESFc1ccnc(-c2ccccc2C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C13H6F7N/c14-9-5-6-21-11(10(9)13(18,19)20)7-3-1-2-4-8(7)12(15,16)17/h1-6H
InChIKeyUVNNLMUMLIOCKY-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(trifluoromethyl)phenyl]-2-[2-[2-[3-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenyl]phenyl]pyridine
CID 58947587
[3-[2-(trifluoromethyl)phenyl]pyrazin-2-yl]hydrazine
CID 112559499
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,3-difluoro-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]benzene
CID 118846513
2,3,5-trifluoro-6-[2-(trifluoromethyl)phenyl]pyridine
CID 118848870
2-chloro-3-fluoro-4-[2-(trifluoromethyl)phenyl]pyridine
CID 118997710
2-(2,3-difluorophenyl)-3-(trifluoromethyl)pyridine
CID 170837725
2-(2-methylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine
CID 126582882
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
2-pyridin-2-yl-3,4-bis(trifluoromethyl)pyridine
CID 23443905
2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722117
[2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid
CID 153320819

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine (CID 118850193) is 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine is Fc1ccnc(-c2ccccc2C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine?
The InChIKey is UVNNLMUMLIOCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F7N/c14-9-5-6-21-11(10(9)13(18,19)20)7-3-1-2-4-8(7)12(15,16)17/h1-6H.
What are the key properties of 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine?
4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 309.18 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 118850193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).