1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

C13H10F4N2O — CID 102707464

IUPAC1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCC(O)(c1ccc(F)cn1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H10F4N2O/c1-12(20,11-3-2-8(14)6-19-11)10-7-18-5-4-9(10)13(15,16)17/h2-7,20H,1H3
InChIKeySAQKQQOSAUDJBW-UHFFFAOYSA-N
MW286.23 g/mol
LogP2.89
Rot. Bonds2

About 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 102707464) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID102707464
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCC(O)(c1ccc(F)cn1)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H10F4N2O/c1-12(20,11-3-2-8(14)6-19-11)10-7-18-5-4-9(10)13(15,16)17/h2-7,20H,1H3
InChIKeySAQKQQOSAUDJBW-UHFFFAOYSA-N
XLogP2.89
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124846
1-(2,6-difluoro-3-methylphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124686
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125325
1-(2-fluoro-3-methoxyphenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125403
1-(3-chloro-4-pyridinyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125074
1-(5-fluoro-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)ethanol
CID 104514737
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
3-hydroxy-3-[4-(trifluoromethyl)-3-pyridinyl]butanal
CID 102707382
1-(3,4-dihydro-2H-chromen-8-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 114743705
1-(5-fluoro-2-pyridinyl)-1-(1-methylpyrazol-4-yl)ethanol
CID 83125010
1-(5-chlorothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83124620

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (CID 102707464) is 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is CC(O)(c1ccc(F)cn1)c1cnccc1C(F)(F)F.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is SAQKQQOSAUDJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c1-12(20,11-3-2-8(14)6-19-11)10-7-18-5-4-9(10)13(15,16)17/h2-7,20H,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 286.23 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 102707464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).