ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate

C11H12N2O3 — CID 130176334

IUPACethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1c(C)c(C#N)ccc1=O
InChIInChI=1S/C11H12N2O3/c1-3-16-11(15)7-13-8(2)9(6-12)4-5-10(13)14/h4-5H,3,7H2,1-2H3
InChIKeyPTLPGBUOHSBERM-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.59
Rot. Bonds3

About ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate

ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate (PubChem CID 130176334) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate
PubChem CID130176334
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate
SMILESCCOC(=O)Cn1c(C)c(C#N)ccc1=O
InChIInChI=1S/C11H12N2O3/c1-3-16-11(15)7-13-8(2)9(6-12)4-5-10(13)14/h4-5H,3,7H2,1-2H3
InChIKeyPTLPGBUOHSBERM-UHFFFAOYSA-N
XLogP0.59
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyanoethyl 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 16272518
methyl (3-cyano-4,6-dimethyl-2-oxopyridin-1(2H)-yl)acetate
CID 6462664
Ethyl 2-(3-cyano-4-methyl-2-oxo-1-pyridinyl)acetate
CID 86795351
[(1S)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 8893944
[(1R)-1-cyanoethyl] 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
CID 8893945
Ethyl 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetate
CID 12295333
2-(3-Cyano-4,6-dimethyl-2-oxo-1-pyridinyl)ethyl acetate
CID 11195670
3-Cyano-1,2-dihydro-2-oxocyclohepta[b]pyrrole-1-acetic acid ethyl ester
CID 12852682
Ethyl 2-(3-cyano-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetate
CID 13668463
1-(2-Ethoxyethyl)-2-hydroxy-6-oxopyridine-3-carbonitrile
CID 53938825
(5-Methyl-2-oxo-2H-pyridin-1-yl)-acetic acid ethyl ester
CID 58771148
(4,6-Dimethyl-2-oxo-2h-pyridin-1-yl)-acetic acid ethyl ester
CID 68406572

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate?
The IUPAC name of ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate (CID 130176334) is ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate is CCOC(=O)Cn1c(C)c(C#N)ccc1=O.
What is the InChIKey of ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate?
The InChIKey is PTLPGBUOHSBERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-16-11(15)7-13-8(2)9(6-12)4-5-10(13)14/h4-5H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate?
ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate has a molecular weight of 220.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyano-2-methyl-6-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 130176334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).