2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile

C15H12Cl2N2O — CID 82519123

IUPAC2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCCn1c(-c2ccc(Cl)c(Cl)c2)ccc(CC#N)c1=O
InChIInChI=1S/C15H12Cl2N2O/c1-2-19-14(6-4-10(7-8-18)15(19)20)11-3-5-12(16)13(17)9-11/h3-6,9H,2,7H2,1H3
InChIKeyFVSSUSPWOWBTOX-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.91
Rot. Bonds3

About 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile

2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile (PubChem CID 82519123) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
PubChem CID82519123
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
SMILESCCn1c(-c2ccc(Cl)c(Cl)c2)ccc(CC#N)c1=O
InChIInChI=1S/C15H12Cl2N2O/c1-2-19-14(6-4-10(7-8-18)15(19)20)11-3-5-12(16)13(17)9-11/h3-6,9H,2,7H2,1H3
InChIKeyFVSSUSPWOWBTOX-UHFFFAOYSA-N
XLogP3.91
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(3-chloro-4-methoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517166
3-amino-6-(3,4-dichlorophenyl)-1-ethylpyridin-2-one
CID 82466961
2-[1-ethyl-6-(3-methoxyphenyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82518561
2-[6-(3,4-dimethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetonitrile
CID 82520075
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
6-(3-chloro-4-methoxyphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82517171
2-[6-(4-methylphenyl)-2-oxo-1-pentyl-3-pyridinyl]acetonitrile
CID 82520751
2-[5-(3,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133092843
2-[6-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-2-oxo-3-pyridinyl]acetonitrile
CID 82519984
1-ethyl-6-(4-propan-2-ylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520429
2-[2,6-bis(3,4-dichlorophenyl)-3-pyridinyl]acetonitrile
CID 133094362
2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
CID 158452584

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile (CID 82519123) is 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile is CCn1c(-c2ccc(Cl)c(Cl)c2)ccc(CC#N)c1=O.
What is the InChIKey of 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
The InChIKey is FVSSUSPWOWBTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-2-19-14(6-4-10(7-8-18)15(19)20)11-3-5-12(16)13(17)9-11/h3-6,9H,2,7H2,1H3.
What are the key properties of 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile?
2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile has a molecular weight of 307.18 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 82519123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).