dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate

C10H11NO5 — CID 15441123

IUPACdimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(C)c1C(=O)OC
InChIInChI=1S/C10H11NO5/c1-5-7(10(14)16-3)6(9(13)15-2)4-11-8(5)12/h4H,1-3H3,(H,11,12)
InChIKeyQUKHIHIAVDDIOO-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.26
Rot. Bonds2

About dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate

dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate (PubChem CID 15441123) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate
PubChem CID15441123
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Namedimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(C)c1C(=O)OC
InChIInChI=1S/C10H11NO5/c1-5-7(10(14)16-3)6(9(13)15-2)4-11-8(5)12/h4H,1-3H3,(H,11,12)
InChIKeyQUKHIHIAVDDIOO-UHFFFAOYSA-N
XLogP0.26
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-bis(methoxycarbonyl)-1H-pyrrole-2-carboxylic acid
CID 70300022
methyl 5-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 12619145
methyl 4-hydroxy-5-(1-methoxy-4-methyl-1-oxopentan-3-yl)-6-oxo-1H-pyridine-3-carboxylate
CID 102564818
methyl 2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 142660274
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812
methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate
CID 90741354
dimethyl 3-bromo-4,5-dimethylbenzene-1,2-dicarboxylate
CID 164920115
dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
CID 126633344
methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 119084145
methyl 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134659856
methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 130100268
methyl 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 130076956

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate?
The IUPAC name of dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate (CID 15441123) is dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate is COC(=O)c1c[nH]c(=O)c(C)c1C(=O)OC.
What is the InChIKey of dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate?
The InChIKey is QUKHIHIAVDDIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-5-7(10(14)16-3)6(9(13)15-2)4-11-8(5)12/h4H,1-3H3,(H,11,12).
What are the key properties of dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate?
dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate has a molecular weight of 225.20 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate is sourced from PubChem (CID 15441123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).