1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile

C14H11N3O3 — CID 82099228

IUPAC1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(-c2cccc([N+](=O)[O-])c2)ccc(C#N)c1=O
InChIInChI=1S/C14H11N3O3/c1-2-16-13(7-6-11(9-15)14(16)18)10-4-3-5-12(8-10)17(19)20/h3-8H,2H2,1H3
InChIKeyOMFAWEMABBNKFG-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.32
Rot. Bonds3

About 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile

1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile (PubChem CID 82099228) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
PubChem CID82099228
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
SMILESCCn1c(-c2cccc([N+](=O)[O-])c2)ccc(C#N)c1=O
InChIInChI=1S/C14H11N3O3/c1-2-16-13(7-6-11(9-15)14(16)18)10-4-3-5-12(8-10)17(19)20/h3-8H,2H2,1H3
InChIKeyOMFAWEMABBNKFG-UHFFFAOYSA-N
XLogP2.32
TPSA88.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxypropyl)-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099234
1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517103
1-ethyl-2-oxo-6-(3-propoxyphenyl)pyridine-3-carbonitrile
CID 82518218
6-(3-nitrophenyl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82099816
1-ethyl-6-(4-methoxy-3-methylphenyl)-2-oxopyridine-3-carbonitrile
CID 82517340
1-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
2-oxo-6-(3-propoxyphenyl)-1-propylpyridine-3-carbonitrile
CID 82518204
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
2-hydroxy-4-(3-nitrophenyl)benzonitrile
CID 53219988
6-(3-ethoxyphenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 82518322
6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 2765304
1-(3-cyanopropyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147729

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile (CID 82099228) is 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile is CCn1c(-c2cccc([N+](=O)[O-])c2)ccc(C#N)c1=O.
What is the InChIKey of 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is OMFAWEMABBNKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-2-16-13(7-6-11(9-15)14(16)18)10-4-3-5-12(8-10)17(19)20/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile?
1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 269.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82099228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).