3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile

C14H11FN2O2 — CID 107666140

IUPAC3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile
SMILESCC(O)c1ccc(Oc2ccc(C#N)cc2F)cn1
InChIInChI=1S/C14H11FN2O2/c1-9(18)13-4-3-11(8-17-13)19-14-5-2-10(7-16)6-12(14)15/h2-6,8-9,18H,1H3
InChIKeyPOKAOGZPIZWZLX-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.94
Rot. Bonds3

About 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile

3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile (PubChem CID 107666140) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile
PubChem CID107666140
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile
SMILESCC(O)c1ccc(Oc2ccc(C#N)cc2F)cn1
InChIInChI=1S/C14H11FN2O2/c1-9(18)13-4-3-11(8-17-13)19-14-5-2-10(7-16)6-12(14)15/h2-6,8-9,18H,1H3
InChIKeyPOKAOGZPIZWZLX-UHFFFAOYSA-N
XLogP2.94
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-[4-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666062
4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]-3,5-dimethylbenzonitrile
CID 83125700
4-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 78941631
1-[5-(2-bromo-4-fluorophenoxy)-2-pyridinyl]ethanol
CID 83125031
1-[5-(3,4-difluorophenoxy)-2-pyridinyl]ethanol
CID 83125690
(1S)-1-[5-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]ethanol
CID 107100177
3-fluoro-4-[2-(1-hydroxyethyl)phenoxy]benzonitrile
CID 107666090
3-fluoro-4-[2-[(1S)-1-hydroxyethyl]phenoxy]benzonitrile
CID 107666030
(1S)-1-[5-(2,4-dimethylphenoxy)-2-pyridinyl]ethanol
CID 83125032
3-fluoro-4-(3-methyl-4-propan-2-ylphenoxy)benzonitrile
CID 43657439
(1R)-1-[5-(2,4-difluorophenoxy)-2-pyridinyl]propan-1-ol
CID 103939049
4-(3,4-dichlorophenoxy)-3-fluorobenzonitrile
CID 54897766

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile (CID 107666140) is 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile is CC(O)c1ccc(Oc2ccc(C#N)cc2F)cn1.
What is the InChIKey of 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile?
The InChIKey is POKAOGZPIZWZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c1-9(18)13-4-3-11(8-17-13)19-14-5-2-10(7-16)6-12(14)15/h2-6,8-9,18H,1H3.
What are the key properties of 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile?
3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile has a molecular weight of 258.25 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[6-(1-hydroxyethyl)-3-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 107666140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).