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

C8H4F7NO2 — CID 134662814

IUPAC[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(OC(F)(F)F)c(C(F)(F)F)nc1F
InChIInChI=1S/C8H4F7NO2/c9-6-3(2-17)1-4(18-8(13,14)15)5(16-6)7(10,11)12/h1,17H,2H2
InChIKeyXXBBEQUMQUOZFO-UHFFFAOYSA-N
MW279.11 g/mol
LogP2.63
Rot. Bonds2

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

[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 134662814) has the molecular formula C8H4F7NO2 and a molecular weight of 279.11 g/mol. Its IUPAC name is [2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID134662814
Molecular FormulaC8H4F7NO2
Molecular Weight279.11 g/mol
Exact Mass279.01
IUPAC Name[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(OC(F)(F)F)c(C(F)(F)F)nc1F
InChIInChI=1S/C8H4F7NO2/c9-6-3(2-17)1-4(18-8(13,14)15)5(16-6)7(10,11)12/h1,17H,2H2
InChIKeyXXBBEQUMQUOZFO-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

Computed Properties (RDKit)

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

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Related Compounds

[5-fluoro-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134680686
[5-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134677431
[6-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134677424
[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
CID 118996091
[5-(fluoromethyl)-6-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134660139
[2-iodo-6-nitro-5-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134678950
[2-fluoro-6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133089327
[3-(trifluoromethoxy)naphthalen-2-yl]methanol
CID 118854447
ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134680125
2-[3-(aminomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134667935
2-(fluoromethyl)-3-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134669983
2-[6-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134678169

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 134662814) is [2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol is OCc1cc(OC(F)(F)F)c(C(F)(F)F)nc1F.
What is the InChIKey of [2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is XXBBEQUMQUOZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F7NO2/c9-6-3(2-17)1-4(18-8(13,14)15)5(16-6)7(10,11)12/h1,17H,2H2.
What are the key properties of [2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol?
[2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-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 [2-fluoro-5-(trifluoromethoxy)-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 134662814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).