2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile

C15H14N2O2 — CID 43289161

IUPAC2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile
SMILESN#Cc1ccccc1OCCCn1ccccc1=O
InChIInChI=1S/C15H14N2O2/c16-12-13-6-1-2-7-14(13)19-11-5-10-17-9-4-3-8-15(17)18/h1-4,6-9H,5,10-11H2
InChIKeySYRHVZSVMVNOIG-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.19
Rot. Bonds5

About 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile

2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile (PubChem CID 43289161) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile.

Molecular Properties

Compound Name2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile
PubChem CID43289161
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile
SMILESN#Cc1ccccc1OCCCn1ccccc1=O
InChIInChI=1S/C15H14N2O2/c16-12-13-6-1-2-7-14(13)19-11-5-10-17-9-4-3-8-15(17)18/h1-4,6-9H,5,10-11H2
InChIKeySYRHVZSVMVNOIG-UHFFFAOYSA-N
XLogP2.19
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3,6-dioxo-1H-pyridazin-2-yl)propoxy]benzonitrile
CID 43289205
2-[2-(5-fluoro-2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 99831528
2-[2-(3-ethyl-2,6-dioxopyrimidin-1-yl)ethoxy]benzonitrile
CID 63800667
1-[2-[2-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyridin-2-one
CID 82899377
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]benzonitrile
CID 934406
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
2-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
CID 82897285
3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 82896590
2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propoxy]benzonitrile
CID 43289266
2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7379961
2-(5-chloropentoxy)benzonitrile
CID 43348424

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile?
The IUPAC name of 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile (CID 43289161) is 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile.
What is the SMILES notation for 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile?
The canonical SMILES for 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile is N#Cc1ccccc1OCCCn1ccccc1=O.
What is the InChIKey of 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile?
The InChIKey is SYRHVZSVMVNOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-12-13-6-1-2-7-14(13)19-11-5-10-17-9-4-3-8-15(17)18/h1-4,6-9H,5,10-11H2.
What are the key properties of 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile?
2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxo-1-pyridinyl)propoxy]benzonitrile is sourced from PubChem (CID 43289161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).