dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate

C16H12N2O5 — CID 10733861

IUPACdimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccccc2)c(C#N)c1C(=O)OC
InChIInChI=1S/C16H12N2O5/c1-22-15(20)11-8-13(19)18(10-6-4-3-5-7-10)12(9-17)14(11)16(21)23-2/h3-8H,1-2H3
InChIKeySIFDXLFOKRMWJK-UHFFFAOYSA-N
MW312.28 g/mol
LogP1.28
Rot. Bonds3

About dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate

dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate (PubChem CID 10733861) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate
PubChem CID10733861
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Namedimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate
SMILESCOC(=O)c1cc(=O)n(-c2ccccc2)c(C#N)c1C(=O)OC
InChIInChI=1S/C16H12N2O5/c1-22-15(20)11-8-13(19)18(10-6-4-3-5-7-10)12(9-17)14(11)16(21)23-2/h3-8H,1-2H3
InChIKeySIFDXLFOKRMWJK-UHFFFAOYSA-N
XLogP1.28
TPSA98.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 2,6-dioxo-1,3-diphenylpyrimidine-4,5-dicarboxylate
CID 134839740
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
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2-O,3-O,4-O,5-O-tetramethyl 1-O-phenyl benzene-1,2,3,4,5-pentacarboxylate
CID 45113312
methyl 2-cyano-5-(1,3-dioxoisoindol-2-yl)benzoate
CID 168517112
methyl 2-(3-chlorophenyl)imino-4-oxo-3-phenyl-1,3-thiazine-6-carboxylate
CID 134125116
trimethyl 1-(2-hydroxy-4-methylphenyl)-6-oxopyridine-2,3,4-tricarboxylate
CID 14449914
3-cyano-2-methoxycarbonylbenzoic acid
CID 91882336
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-phosphanylbenzoate
CID 156736008
methyl 8-amino-3-methyl-1-oxo-2-phenylisoquinoline-4-carboxylate
CID 67132488
methyl 8-benzoyl-5-oxo-[1,3]thiazolo[3,2-a]pyridine-7-carboxylate
CID 102346339
methyl 5-(2-cyanophenyl)-6-oxo-1-phenylpyridine-3-carboxylate
CID 22319231

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate (CID 10733861) is dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate is COC(=O)c1cc(=O)n(-c2ccccc2)c(C#N)c1C(=O)OC.
What is the InChIKey of dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate?
The InChIKey is SIFDXLFOKRMWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-22-15(20)11-8-13(19)18(10-6-4-3-5-7-10)12(9-17)14(11)16(21)23-2/h3-8H,1-2H3.
What are the key properties of dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate?
dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate has a molecular weight of 312.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyano-6-oxo-1-phenylpyridine-3,4-dicarboxylate is sourced from PubChem (CID 10733861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).