[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol

C8H4F7NO2 — CID 134680686

IUPAC[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(C(F)(F)F)c(F)cc1OC(F)(F)F
InChIInChI=1S/C8H4F7NO2/c9-3-1-5(18-8(13,14)15)4(2-17)16-6(3)7(10,11)12/h1,17H,2H2
InChIKeyPMEZTJUZWZACSI-UHFFFAOYSA-N
MW279.11 g/mol
LogP2.63
Rot. Bonds2

About [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol

[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol (PubChem CID 134680686) has the molecular formula C8H4F7NO2 and a molecular weight of 279.11 g/mol. Its IUPAC name is [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
PubChem CID134680686
Molecular FormulaC8H4F7NO2
Molecular Weight279.11 g/mol
Exact Mass279.01
IUPAC Name[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(C(F)(F)F)c(F)cc1OC(F)(F)F
InChIInChI=1S/C8H4F7NO2/c9-3-1-5(18-8(13,14)15)4(2-17)16-6(3)7(10,11)12/h1,17H,2H2
InChIKeyPMEZTJUZWZACSI-UHFFFAOYSA-N
XLogP2.63
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.11
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
CID 134662814
[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134660139
[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134677431
[6-(aminomethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118831104
[6-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 119008282
[6-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118826147
2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134669983
2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134678169
6-(hydroxymethyl)-2-nitro-5-(trifluoromethoxy)pyridin-3-ol
CID 134664304
[4-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668178
3-fluoro-6-(fluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680375
2-[5-(chloromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134668050

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol (CID 134680686) is [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol is OCc1nc(C(F)(F)F)c(F)cc1OC(F)(F)F.
What is the InChIKey of [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol?
The InChIKey is PMEZTJUZWZACSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F7NO2/c9-3-1-5(18-8(13,14)15)4(2-17)16-6(3)7(10,11)12/h1,17H,2H2.
What are the key properties of [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol?
[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol has a molecular weight of 279.11 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134680686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).