3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile

C15H13ClN2O2 — CID 82143480

IUPAC3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile
SMILESN#CCCn1cccc(OCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C15H13ClN2O2/c16-13-5-1-4-12(10-13)11-20-14-6-2-8-18(15(14)19)9-3-7-17/h1-2,4-6,8,10H,3,9,11H2
InChIKeyWIRAIXLWARCANA-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.99
Rot. Bonds5

About 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile

3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile (PubChem CID 82143480) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile.

Molecular Properties

Compound Name3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile
PubChem CID82143480
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile
SMILESN#CCCn1cccc(OCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C15H13ClN2O2/c16-13-5-1-4-12(10-13)11-20-14-6-2-8-18(15(14)19)9-3-7-17/h1-2,4-6,8,10H,3,9,11H2
InChIKeyWIRAIXLWARCANA-UHFFFAOYSA-N
XLogP2.99
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile
CID 82146371
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
CID 82151941
4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 94758137
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143469
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile
CID 53423180
3-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]propanenitrile
CID 82185994
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
1-chloro-3-[[2-(4-chlorobut-1-ynyl)phenoxy]methyl]benzene
CID 60802070
[8-[(3-chlorophenyl)methoxy]imidazo[1,2-a]pyridin-3-yl]methanamine
CID 82056319
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile?
The IUPAC name of 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile (CID 82143480) is 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile.
What is the SMILES notation for 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile?
The canonical SMILES for 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile is N#CCCn1cccc(OCc2cccc(Cl)c2)c1=O.
What is the InChIKey of 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile?
The InChIKey is WIRAIXLWARCANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-13-5-1-4-12(10-13)11-20-14-6-2-8-18(15(14)19)9-3-7-17/h1-2,4-6,8,10H,3,9,11H2.
What are the key properties of 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile?
3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile has a molecular weight of 288.73 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile is sourced from PubChem (CID 82143480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).