methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate

C9H11NO3 — CID 59006708

IUPACmethyl 1,2-dimethyl-6-oxopyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)n(C)c(=O)c1
InChIInChI=1S/C9H11NO3/c1-6-4-7(9(12)13-3)5-8(11)10(6)2/h4-5H,1-3H3
InChIKeyCENXXRDQDWELCL-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.48
Rot. Bonds1

About methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate

methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate (PubChem CID 59006708) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethyl-6-oxopyridine-4-carboxylate
PubChem CID59006708
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 1,2-dimethyl-6-oxopyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)n(C)c(=O)c1
InChIInChI=1S/C9H11NO3/c1-6-4-7(9(12)13-3)5-8(11)10(6)2/h4-5H,1-3H3
InChIKeyCENXXRDQDWELCL-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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Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate?
The IUPAC name of methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate (CID 59006708) is methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate is COC(=O)c1cc(C)n(C)c(=O)c1.
What is the InChIKey of methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate?
The InChIKey is CENXXRDQDWELCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-4-7(9(12)13-3)5-8(11)10(6)2/h4-5H,1-3H3.
What are the key properties of methyl 1,2-dimethyl-6-oxopyridine-4-carboxylate?
methyl 1,2-dimethyl-6-oxopyridine-4-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-4-carboxylate is sourced from PubChem (CID 59006708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).