methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate

C10H13NO3 — CID 68929213

IUPACmethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(=O)n(C)c1C
InChIInChI=1S/C10H13NO3/c1-6-5-8(10(13)14-4)7(2)11(3)9(6)12/h5H,1-4H3
InChIKeyQVDKRRPZVXYNIG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.79
Rot. Bonds1

About methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate

methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate (PubChem CID 68929213) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate
PubChem CID68929213
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(=O)n(C)c1C
InChIInChI=1S/C10H13NO3/c1-6-5-8(10(13)14-4)7(2)11(3)9(6)12/h5H,1-4H3
InChIKeyQVDKRRPZVXYNIG-UHFFFAOYSA-N
XLogP0.79
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate (CID 68929213) is methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate is COC(=O)c1cc(C)c(=O)n(C)c1C.
What is the InChIKey of methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate?
The InChIKey is QVDKRRPZVXYNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-5-8(10(13)14-4)7(2)11(3)9(6)12/h5H,1-4H3.
What are the key properties of methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate?
methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2,5-trimethyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 68929213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).