5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile

C8H7ClN2O — CID 14211659

IUPAC5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1Cl
InChIInChI=1S/C8H7ClN2O/c1-2-7-6(9)3-5(4-10)8(12)11-7/h3H,2H2,1H3,(H,11,12)
InChIKeyONYCNLWPHXFNLL-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.46
Rot. Bonds1

About 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile

5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 14211659) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID14211659
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1[nH]c(=O)c(C#N)cc1Cl
InChIInChI=1S/C8H7ClN2O/c1-2-7-6(9)3-5(4-10)8(12)11-7/h3H,2H2,1H3,(H,11,12)
InChIKeyONYCNLWPHXFNLL-UHFFFAOYSA-N
XLogP1.46
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 14490482
5-(2-chloroacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 88708237
6-ethyl-5-(2-hydroxyacetyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 70495107
5-(2-bromoacetyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 15098873
6-ethyl-2-oxo-5-(3-oxobutanoyl)-1H-pyridine-3-carbonitrile
CID 70492361
5-(2-bromo-1-hydroxypropyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 57036268
5-chloro-6-ethyl-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491261
[1-(5-cyano-2-ethyl-6-oxo-1H-pyridin-3-yl)-1-oxopropan-2-yl] thiocyanate
CID 88708875
6-ethyl-5-[(Z)-N-methoxy-C-propylcarbonimidoyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 135827459
5-chloro-2-oxo-1H-quinoline-3-carbonitrile
CID 139530349
6-bromo-8-ethyl-2-oxo-1H-quinoline-3-carbonitrile
CID 165460783
5-butyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 10330159

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 14211659) is 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1[nH]c(=O)c(C#N)cc1Cl.
What is the InChIKey of 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ONYCNLWPHXFNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-2-7-6(9)3-5(4-10)8(12)11-7/h3H,2H2,1H3,(H,11,12).
What are the key properties of 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile?
5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 182.61 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 14211659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).