1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol

C13H11F2NO2 — CID 83125690

IUPAC1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C13H11F2NO2/c1-8(17)13-5-3-10(7-16-13)18-9-2-4-11(14)12(15)6-9/h2-8,17H,1H3
InChIKeyQYPDSWCGSINNKZ-UHFFFAOYSA-N
MW251.23 g/mol
LogP3.21
Rot. Bonds3

About 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol

1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol (PubChem CID 83125690) has the molecular formula C13H11F2NO2 and a molecular weight of 251.23 g/mol. Its IUPAC name is 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
PubChem CID83125690
Molecular FormulaC13H11F2NO2
Molecular Weight251.23 g/mol
Exact Mass251.08
IUPAC Name1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(Oc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C13H11F2NO2/c1-8(17)13-5-3-10(7-16-13)18-9-2-4-11(14)12(15)6-9/h2-8,17H,1H3
InChIKeyQYPDSWCGSINNKZ-UHFFFAOYSA-N
XLogP3.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]ethanol
CID 83125125
(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
CID 107100177
(1S)-1-[5-(3-tert-butylphenoxy)-2-pyridinyl]ethanol
CID 83125531
1-[5-(3-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124813
(1R)-1-[5-(4-fluoro-3-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 103939285
(1R)-1-[5-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83124719
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile
CID 107666140
(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
CID 83124503
2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
CID 103939277
(1R)-1-[5-(4-nitrophenoxy)-2-pyridinyl]ethanol
CID 83125211
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol (CID 83125690) is 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol is CC(O)c1ccc(Oc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol?
The InChIKey is QYPDSWCGSINNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO2/c1-8(17)13-5-3-10(7-16-13)18-9-2-4-11(14)12(15)6-9/h2-8,17H,1H3.
What are the key properties of 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol?
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol has a molecular weight of 251.23 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol is sourced from PubChem (CID 83125690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).