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

C15H12N2O3 — CID 1471703

IUPACethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)12-8-11(9-16)14(18)17-13(12)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,17,18)
InChIKeyQTDJAMGJLOJKCG-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.09
Rot. Bonds3

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

ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate (PubChem CID 1471703) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
PubChem CID1471703
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Nameethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C15H12N2O3/c1-2-20-15(19)12-8-11(9-16)14(18)17-13(12)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,17,18)
InChIKeyQTDJAMGJLOJKCG-UHFFFAOYSA-N
XLogP2.09
TPSA82.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate (CID 1471703) is ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(=O)[nH]c1-c1ccccc1.
What is the InChIKey of ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
The InChIKey is QTDJAMGJLOJKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-2-20-15(19)12-8-11(9-16)14(18)17-13(12)10-6-4-3-5-7-10/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate?
ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-6-oxo-2-phenyl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 1471703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).