3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine

C13H6F7NO — CID 133089391

IUPAC3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESFc1ccc(-c2cccc(OC(F)(F)F)c2)nc1C(F)(F)F
InChIInChI=1S/C13H6F7NO/c14-9-4-5-10(21-11(9)12(15,16)17)7-2-1-3-8(6-7)22-13(18,19)20/h1-6H
InChIKeyXCTQUPPNTXRESL-UHFFFAOYSA-N
MW325.18 g/mol
LogP4.81
Rot. Bonds2

About 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine

3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine (PubChem CID 133089391) has the molecular formula C13H6F7NO and a molecular weight of 325.18 g/mol. Its IUPAC name is 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
PubChem CID133089391
Molecular FormulaC13H6F7NO
Molecular Weight325.18 g/mol
Exact Mass325.03
IUPAC Name3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
SMILESFc1ccc(-c2cccc(OC(F)(F)F)c2)nc1C(F)(F)F
InChIInChI=1S/C13H6F7NO/c14-9-4-5-10(21-11(9)12(15,16)17)7-2-1-3-8(6-7)22-13(18,19)20/h1-6H
InChIKeyXCTQUPPNTXRESL-UHFFFAOYSA-N
XLogP4.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118854616
2-(difluoromethoxy)-6-[3-(trifluoromethoxy)phenyl]pyridine
CID 118814623
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 90750927
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
5-(2-fluorophenyl)-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 59363988
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1-fluoro-2-methoxy-4-[3-(trifluoromethoxy)phenyl]benzene
CID 118821679
[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-4-pyridinyl]boronic acid
CID 87406203
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine (CID 133089391) is 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine is Fc1ccc(-c2cccc(OC(F)(F)F)c2)nc1C(F)(F)F.
What is the InChIKey of 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
The InChIKey is XCTQUPPNTXRESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F7NO/c14-9-4-5-10(21-11(9)12(15,16)17)7-2-1-3-8(6-7)22-13(18,19)20/h1-6H.
What are the key properties of 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine?
3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine has a molecular weight of 325.18 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 133089391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).