2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile

C14H11FN2O2 — CID 99831528

IUPAC2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCn1cc(F)ccc1=O
InChIInChI=1S/C14H11FN2O2/c15-12-5-6-14(18)17(10-12)7-8-19-13-4-2-1-3-11(13)9-16/h1-6,10H,7-8H2
InChIKeyNKOIXAWKOIVFEA-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile

2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile (PubChem CID 99831528) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile
PubChem CID99831528
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCn1cc(F)ccc1=O
InChIInChI=1S/C14H11FN2O2/c15-12-5-6-14(18)17(10-12)7-8-19-13-4-2-1-3-11(13)9-16/h1-6,10H,7-8H2
InChIKeyNKOIXAWKOIVFEA-UHFFFAOYSA-N
XLogP1.94
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile
CID 43289161
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzonitrile
CID 934406
2-[2-(3-ethyl-2,6-dioxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63800667
2-[3-(3,5-difluorophenoxy)propoxy]benzonitrile
CID 62785228
2-[3-(3,6-dioxo-1H-pyridazin-2-yl)propoxy]benzonitrile
CID 43289205
2-[2-(3,4-dihydroxypyrrolidin-1-yl)ethoxy]benzonitrile
CID 106669436
2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethoxy]benzonitrile
CID 17422793
2-[2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethoxy]benzonitrile
CID 86825032
2-[2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)ethoxy]benzonitrile
CID 114513535
2-(5-chloropentoxy)benzonitrile
CID 43348424
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-[3-(5-amino-2-oxo-1-pyridinyl)propoxy]-6-fluorobenzonitrile
CID 43609046

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile (CID 99831528) is 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile is N#Cc1ccccc1OCCn1cc(F)ccc1=O.
What is the InChIKey of 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile?
The InChIKey is NKOIXAWKOIVFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-12-5-6-14(18)17(10-12)7-8-19-13-4-2-1-3-11(13)9-16/h1-6,10H,7-8H2.
What are the key properties of 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile?
2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile has a molecular weight of 258.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile is sourced from PubChem (CID 99831528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).