4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile

C16H15ClN2O2 — CID 82151941

IUPAC4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
SMILESN#CCCCn1cccc(OCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H15ClN2O2/c17-14-7-5-13(6-8-14)12-21-15-4-3-11-19(16(15)20)10-2-1-9-18/h3-8,11H,1-2,10,12H2
InChIKeyNJWPRIJVZGYWRZ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.38
Rot. Bonds6

About 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile

4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile (PubChem CID 82151941) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
PubChem CID82151941
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
SMILESN#CCCCn1cccc(OCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H15ClN2O2/c17-14-7-5-13(6-8-14)12-21-15-4-3-11-19(16(15)20)10-2-1-9-18/h3-8,11H,1-2,10,12H2
InChIKeyNJWPRIJVZGYWRZ-UHFFFAOYSA-N
XLogP3.38
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.38
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

3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile
CID 82143480
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177
1-(3-aminopropyl)-3-phenylmethoxypyridin-2-one
CID 52921436
4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 94758137
3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile
CID 82146371
5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 63172292
2-[[1-(2-cyanoethyl)-2-oxo-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 82143469
1-(3-aminopropyl)-3-(3-phenylpropoxy)pyridin-2-one
CID 82056281
4-(3,5-dichloro-2-oxo-1-pyridinyl)butanenitrile
CID 82147722
2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile
CID 82143632
1-(2-oxopropyl)-3-phenylmethoxypyridin-2-one
CID 135225818
4-[(2-oxo-3-prop-2-enoxy-1-pyridinyl)methyl]benzonitrile
CID 82150658

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile?
The IUPAC name of 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile (CID 82151941) is 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile is N#CCCCn1cccc(OCc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile?
The InChIKey is NJWPRIJVZGYWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-14-7-5-13(6-8-14)12-21-15-4-3-11-19(16(15)20)10-2-1-9-18/h3-8,11H,1-2,10,12H2.
What are the key properties of 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile?
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile has a molecular weight of 302.76 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile is sourced from PubChem (CID 82151941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).