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

C16H15ClN2O2 — CID 82146371

IUPAC3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile
SMILESCC(C#N)Cn1cccc(OCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-12(9-18)10-19-7-3-6-15(16(19)20)21-11-13-4-2-5-14(17)8-13/h2-8,12H,10-11H2,1H3
InChIKeyGGAXGGKQRLRZOV-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.24
Rot. Bonds5

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

3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile (PubChem CID 82146371) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile
PubChem CID82146371
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile
SMILESCC(C#N)Cn1cccc(OCc2cccc(Cl)c2)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-12(9-18)10-19-7-3-6-15(16(19)20)21-11-13-4-2-5-14(17)8-13/h2-8,12H,10-11H2,1H3
InChIKeyGGAXGGKQRLRZOV-UHFFFAOYSA-N
XLogP3.24
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]propanenitrile
CID 82143480
2-methyl-3-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]propanenitrile
CID 82146383
2-methyl-3-(2-oxo-3-propoxy-1-pyridinyl)propanenitrile
CID 82146374
4-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanoic acid
CID 94758137
4-[3-[(4-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]butanenitrile
CID 82151941
2-[(3-chlorophenyl)methoxy]-6-methoxybenzonitrile
CID 53423180
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
4-[(3-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carbonitrile
CID 80979840
5-amino-3-[(3-chlorophenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 100763119
1-(3-chloropropyl)-3-phenylmethoxypyridin-2-one
CID 59537177

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile (CID 82146371) is 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile is CC(C#N)Cn1cccc(OCc2cccc(Cl)c2)c1=O.
What is the InChIKey of 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile?
The InChIKey is GGAXGGKQRLRZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-12(9-18)10-19-7-3-6-15(16(19)20)21-11-13-4-2-5-14(17)8-13/h2-8,12H,10-11H2,1H3.
What are the key properties of 3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile?
3-[3-[(3-chlorophenyl)methoxy]-2-oxo-1-pyridinyl]-2-methylpropanenitrile has a molecular weight of 302.76 g/mol, XLogP of 3.24, 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]-2-methylpropanenitrile is sourced from PubChem (CID 82146371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).