5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile

C10H9BrN2O2 — CID 15098873

IUPAC5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)CBr
InChIInChI=1S/C10H9BrN2O2/c1-2-8-7(9(14)4-11)3-6(5-12)10(15)13-8/h3H,2,4H2,1H3,(H,13,15)
InChIKeyIYRBXUPFXMIAST-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.39
Rot. Bonds3

About 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile

5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 15098873) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID15098873
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1C(=O)CBr
InChIInChI=1S/C10H9BrN2O2/c1-2-8-7(9(14)4-11)3-6(5-12)10(15)13-8/h3H,2,4H2,1H3,(H,13,15)
InChIKeyIYRBXUPFXMIAST-UHFFFAOYSA-N
XLogP1.39
TPSA73.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 70495107
5-(2-chloroacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 88708237
6-ethyl-2-oxo-5-(3-oxobutanoyl)-1H-pyridine-3-carbonitrile
CID 70492361
3-(2-bromoacetyl)-6-ethyl-5-propanoyl-1H-pyridin-2-one
CID 77230284
5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 14490482
[1-(5-cyano-2-ethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropan-2-yl] thiocyanate
CID 88708875
5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 14211659
6-ethyl-5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135827459
[2-(5-cyano-6-oxo-2-propyl-1H-pyridin-3-yl)-2-oxoethyl] thiocyanate
CID 88707803
5-(2-bromo-1-hydroxypropyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 57036268
6-methyl-2-oxo-5-(2-propoxyacetyl)-1H-pyridine-3-carbonitrile
CID 70494779
5-(2-bromoacetyl)-4-fluoro-2-methylbenzonitrile
CID 171011077

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 15098873) is 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1[nH]c(=O)c(C#N)cc1C(=O)CBr.
What is the InChIKey of 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is IYRBXUPFXMIAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-2-8-7(9(14)4-11)3-6(5-12)10(15)13-8/h3H,2,4H2,1H3,(H,13,15).
What are the key properties of 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 269.10 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 15098873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).