methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate

C11H13NO5 — CID 46868567

IUPACmethyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(C(C)C(=O)OC)c(=O)c1
InChIInChI=1S/C11H13NO5/c1-7(10(14)16-2)12-5-4-8(6-9(12)13)11(15)17-3/h4-7H,1-3H3
InChIKeyMKEHWWAYJDQSJL-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.37
Rot. Bonds3

About methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate

methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate (PubChem CID 46868567) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate
PubChem CID46868567
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(C(C)C(=O)OC)c(=O)c1
InChIInChI=1S/C11H13NO5/c1-7(10(14)16-2)12-5-4-8(6-9(12)13)11(15)17-3/h4-7H,1-3H3
InChIKeyMKEHWWAYJDQSJL-UHFFFAOYSA-N
XLogP0.37
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

deuterio(fluoro)methane;methyl 2-oxo-1-propan-2-ylpyridine-4-carboxylate;methyl 2-oxo-1H-pyridine-4-carboxylate
CID 161175975
2-oxo-1-propan-2-ylpyridine-4-carbohydrazide
CID 122507445
methyl 1-(1-chloroethyl)-2-iminopyridine-4-carboxylate
CID 146550218
methyl 1-(3,4-dimethylphenyl)-2-oxopyridine-4-carboxylate
CID 91406390
methyl 2-(6-methoxy-4-oxoquinolin-1-yl)propanoate
CID 53269611
propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate
CID 112728304
methyl (2S)-2-(2-oxopyrimidin-1-yl)propanoate
CID 125113147
methyl 3-(dibromomethyl)benzoate
CID 11174289
methyl 1-hydroxy-2-sulfanylidenepyridine-4-carboxylate
CID 154126498
methyl 2-(7-chloroindol-1-yl)propanoate
CID 103474207
methyl 2-(4-fluoroindol-1-yl)propanoate
CID 59466070
methyl 2-oxo-3-propan-2-yl-1,3-benzoxazole-5-carboxylate
CID 167310876

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate?
The IUPAC name of methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate (CID 46868567) is methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate is COC(=O)c1ccn(C(C)C(=O)OC)c(=O)c1.
What is the InChIKey of methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate?
The InChIKey is MKEHWWAYJDQSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-7(10(14)16-2)12-5-4-8(6-9(12)13)11(15)17-3/h4-7H,1-3H3.
What are the key properties of methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate?
methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate has a molecular weight of 239.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 46868567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).