2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile

C16H15ClN2O2 — CID 82517166

IUPAC2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCCn1c(-c2ccc(OC)c(Cl)c2)ccc(CC#N)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-3-19-14(6-4-11(8-9-18)16(19)20)12-5-7-15(21-2)13(17)10-12/h4-7,10H,3,8H2,1-2H3
InChIKeyUJTHJQZBKRZTGO-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.26
Rot. Bonds4

About 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile

2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile (PubChem CID 82517166) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
PubChem CID82517166
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCCn1c(-c2ccc(OC)c(Cl)c2)ccc(CC#N)c1=O
InChIInChI=1S/C16H15ClN2O2/c1-3-19-14(6-4-11(8-9-18)16(19)20)12-5-7-15(21-2)13(17)10-12/h4-7,10H,3,8H2,1-2H3
InChIKeyUJTHJQZBKRZTGO-UHFFFAOYSA-N
XLogP3.26
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82519123
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
2-[6-(4-methoxy-3-methylphenyl)-2-oxo-1-propan-2-yl-3-pyridinyl]acetonitrile
CID 82517316
2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82519984
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
3-amino-6-(3,4-dimethoxyphenyl)-1-ethylpyridin-2-one
CID 82467154
3-amino-6-(3-chloro-4-methoxyphenyl)-1-methylpyridin-2-one
CID 82467213
3-acetyl-1-ethyl-6-(4-methoxy-3-methylphenyl)pyridin-2-one
CID 82517327
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile (CID 82517166) is 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile is CCn1c(-c2ccc(OC)c(Cl)c2)ccc(CC#N)c1=O.
What is the InChIKey of 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
The InChIKey is UJTHJQZBKRZTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-3-19-14(6-4-11(8-9-18)16(19)20)12-5-7-15(21-2)13(17)10-12/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile has a molecular weight of 302.76 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82517166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).