methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate

C9H11NO3 — CID 68929462

IUPACmethyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C)c1C
InChIInChI=1S/C9H11NO3/c1-6-7(9(12)13-3)4-5-8(11)10(6)2/h4-5H,1-3H3
InChIKeyCXRPKPYOJVCQHW-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.48
Rot. Bonds1

About methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate

methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate (PubChem CID 68929462) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
PubChem CID68929462
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C)c1C
InChIInChI=1S/C9H11NO3/c1-6-7(9(12)13-3)4-5-8(11)10(6)2/h4-5H,1-3H3
InChIKeyCXRPKPYOJVCQHW-UHFFFAOYSA-N
XLogP0.48
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1,2-dimethylpyrrole-3-carboxylate
CID 91667853
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929209
methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate
CID 159349463
methyl 1-(5-fluoro-2-methoxyphenyl)-2-methyl-6-oxopyridine-3-carboxylate
CID 155595431
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate
CID 164905081
methyl 2-phosphanylbenzoate
CID 156736008
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate
CID 20687962

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate (CID 68929462) is methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(C)c1C.
What is the InChIKey of methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate?
The InChIKey is CXRPKPYOJVCQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-7(9(12)13-3)4-5-8(11)10(6)2/h4-5H,1-3H3.
What are the key properties of methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate?
methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 68929462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).