2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine

C12H5F6NO — CID 118809583

IUPAC2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFc1cc(F)c(-c2ccc(OC(F)(F)F)cc2)nc1F
InChIInChI=1S/C12H5F6NO/c13-8-5-9(14)11(15)19-10(8)6-1-3-7(4-2-6)20-12(16,17)18/h1-5H
InChIKeyWGAHSOSOIGSIRC-UHFFFAOYSA-N
MW293.17 g/mol
LogP4.06
Rot. Bonds2

About 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine

2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 118809583) has the molecular formula C12H5F6NO and a molecular weight of 293.17 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID118809583
Molecular FormulaC12H5F6NO
Molecular Weight293.17 g/mol
Exact Mass293.03
IUPAC Name2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFc1cc(F)c(-c2ccc(OC(F)(F)F)cc2)nc1F
InChIInChI=1S/C12H5F6NO/c13-8-5-9(14)11(15)19-10(8)6-1-3-7(4-2-6)20-12(16,17)18/h1-5H
InChIKeyWGAHSOSOIGSIRC-UHFFFAOYSA-N
XLogP4.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
CID 133089338
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
2-fluoro-1-(trifluoromethoxy)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 118845597
4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
2-[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]-5-propylpyrimidine
CID 90240743
2-[4-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine
CID 155140916
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine (CID 118809583) is 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine is Fc1cc(F)c(-c2ccc(OC(F)(F)F)cc2)nc1F.
What is the InChIKey of 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is WGAHSOSOIGSIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F6NO/c13-8-5-9(14)11(15)19-10(8)6-1-3-7(4-2-6)20-12(16,17)18/h1-5H.
What are the key properties of 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine?
2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 293.17 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 118809583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).