ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate

C10H10N2O3 — CID 173376688

IUPACethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate
SMILESCCOC(=O)n1c(C)ccc(C#N)c1=O
InChIInChI=1S/C10H10N2O3/c1-3-15-10(14)12-7(2)4-5-8(6-11)9(12)13/h4-5H,3H2,1-2H3
InChIKeyRHAWKXUKOKVINY-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.03
Rot. Bonds1

About ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate

ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate (PubChem CID 173376688) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate
PubChem CID173376688
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate
SMILESCCOC(=O)n1c(C)ccc(C#N)c1=O
InChIInChI=1S/C10H10N2O3/c1-3-15-10(14)12-7(2)4-5-8(6-11)9(12)13/h4-5H,3H2,1-2H3
InChIKeyRHAWKXUKOKVINY-UHFFFAOYSA-N
XLogP1.03
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3-cyano-6-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 82099457
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N,N-diethylacetamide
CID 82099388
2-ethoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)butanoate
CID 82099427
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methylacetamide
CID 82099506
2-methoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)propanoate
CID 82099431
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-methyl-N-propan-2-ylacetamide
CID 107072952
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
6-methyl-1-(3-methylbut-2-enyl)-2-oxopyridine-3-carbonitrile
CID 107072857
6-methyl-2-oxo-1-(3-sulfanylpropyl)pyridine-3-carbonitrile
CID 130561478
ethyl 6-cyano-3-(hydroxymethyl)-2-sulfanylbenzoate
CID 134641475
ethyl 6-cyano-2,3-diiodobenzoate
CID 134644151
ethyl 4-cyano-2,3-dihydroxybenzoate
CID 131533373

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate (CID 173376688) is ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate is CCOC(=O)n1c(C)ccc(C#N)c1=O.
What is the InChIKey of ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate?
The InChIKey is RHAWKXUKOKVINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-15-10(14)12-7(2)4-5-8(6-11)9(12)13/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate?
ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-6-methyl-2-oxopyridine-1-carboxylate is sourced from PubChem (CID 173376688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).