ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate

C14H11N3O3 — CID 10038711

IUPACethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(=O)[nH]c1-c1cccnc1
InChIInChI=1S/C14H11N3O3/c1-2-20-14(19)11-6-10(7-15)13(18)17-12(11)9-4-3-5-16-8-9/h3-6,8H,2H2,1H3,(H,17,18)
InChIKeyGTMQRIAEPAVIQM-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.49
Rot. Bonds3

About ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate

ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate (PubChem CID 10038711) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate
PubChem CID10038711
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Nameethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(=O)[nH]c1-c1cccnc1
InChIInChI=1S/C14H11N3O3/c1-2-20-14(19)11-6-10(7-15)13(18)17-12(11)9-4-3-5-16-8-9/h3-6,8H,2H2,1H3,(H,17,18)
InChIKeyGTMQRIAEPAVIQM-UHFFFAOYSA-N
XLogP1.49
TPSA95.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-tert-butyl-5-cyano-6-oxo-1H-pyridine-3-carboxylate
CID 14490480
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829
ethyl 2-fluoro-4,5-dipyridin-3-ylbenzoate
CID 46317979
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
ethyl 2-fluoro-3,5-dipyridin-3-ylbenzoate
CID 46317975
ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate
CID 165453183
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
ethyl 3-pyridin-3-yl-1H-1,2,4-triazole-5-carboxylate
CID 63381274
ethyl 3-fluoro-5-pyridin-3-ylbenzoate
CID 46317693

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate (CID 10038711) is ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(=O)[nH]c1-c1cccnc1.
What is the InChIKey of ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate?
The InChIKey is GTMQRIAEPAVIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-2-20-14(19)11-6-10(7-15)13(18)17-12(11)9-4-3-5-16-8-9/h3-6,8H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate?
ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate has a molecular weight of 269.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-6-oxo-2-pyridin-3-yl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10038711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).