ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate

C10H10N2O3 — CID 78175600

IUPACethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC(C)=NC(=O)C1C#N
InChIInChI=1S/C10H10N2O3/c1-3-15-10(14)7-4-6(2)12-9(13)8(7)5-11/h4,8H,3H2,1-2H3
InChIKeyNNYOMZLBUWPWRM-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.62
Rot. Bonds2

About ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate

ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate (PubChem CID 78175600) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate
PubChem CID78175600
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Nameethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate
SMILESCCOC(=O)C1=CC(C)=NC(=O)C1C#N
InChIInChI=1S/C10H10N2O3/c1-3-15-10(14)7-4-6(2)12-9(13)8(7)5-11/h4,8H,3H2,1-2H3
InChIKeyNNYOMZLBUWPWRM-UHFFFAOYSA-N
XLogP0.62
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-cyano-2-oxo-5,6,7,8-tetrahydro-3H-quinoline-4-carboxylate
CID 91284861
4-(Methoxymethyl)-6-methyl-2-oxo-2,3-dihydropyridine-3-carbonitrile
CID 3728840
(3S)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
CID 7088107
(3R)-4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
CID 7088108
ethyl 3-cyano-6-methyl-2-sulfanylidene-3H-pyridine-4-carboxylate
CID 73763012
3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylic acid
CID 74219387
Ethyl 3-cyano-2,3-dihydro-2-oxo-6-propyl-4-pyridinecarboxylate
CID 74376984

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate?
The IUPAC name of ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate (CID 78175600) is ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate.
What is the SMILES notation for ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate?
The canonical SMILES for ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate is CCOC(=O)C1=CC(C)=NC(=O)C1C#N.
What is the InChIKey of ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate?
The InChIKey is NNYOMZLBUWPWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-3-15-10(14)7-4-6(2)12-9(13)8(7)5-11/h4,8H,3H2,1-2H3.
What are the key properties of ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate?
ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-6-methyl-2-oxo-3H-pyridine-4-carboxylate is sourced from PubChem (CID 78175600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).