methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate

C12H17NO6 — CID 129018248

IUPACmethyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate
SMILESCOC(=O)c1c(OC)c(=O)ccn1CC(OC)OC
InChIInChI=1S/C12H17NO6/c1-16-9(17-2)7-13-6-5-8(14)11(18-3)10(13)12(15)19-4/h5-6,9H,7H2,1-4H3
InChIKeyWXUOIBAKTNPRHI-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.26
Rot. Bonds6

About methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate

methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate (PubChem CID 129018248) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate
PubChem CID129018248
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Namemethyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate
SMILESCOC(=O)c1c(OC)c(=O)ccn1CC(OC)OC
InChIInChI=1S/C12H17NO6/c1-16-9(17-2)7-13-6-5-8(14)11(18-3)10(13)12(15)19-4/h5-6,9H,7H2,1-4H3
InChIKeyWXUOIBAKTNPRHI-UHFFFAOYSA-N
XLogP0.26
TPSA75.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate?
The IUPAC name of methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate (CID 129018248) is methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate?
The canonical SMILES for methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate is COC(=O)c1c(OC)c(=O)ccn1CC(OC)OC.
What is the InChIKey of methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate?
The InChIKey is WXUOIBAKTNPRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-16-9(17-2)7-13-6-5-8(14)11(18-3)10(13)12(15)19-4/h5-6,9H,7H2,1-4H3.
What are the key properties of methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate?
methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate has a molecular weight of 271.27 g/mol, XLogP of 0.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate is sourced from PubChem (CID 129018248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).