methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate

C12H13NO6 — CID 22970010

IUPACmethyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(c(OC)n1)COC(=O)C2(C)O
InChIInChI=1S/C12H13NO6/c1-12(16)7-4-8(10(14)18-3)13-9(17-2)6(7)5-19-11(12)15/h4,16H,5H2,1-3H3
InChIKeyVPNFXPLIBVZTKY-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.14
Rot. Bonds2

About methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate

methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate (PubChem CID 22970010) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate
PubChem CID22970010
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Namemethyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2c(c(OC)n1)COC(=O)C2(C)O
InChIInChI=1S/C12H13NO6/c1-12(16)7-4-8(10(14)18-3)13-9(17-2)6(7)5-19-11(12)15/h4,16H,5H2,1-3H3
InChIKeyVPNFXPLIBVZTKY-UHFFFAOYSA-N
XLogP0.14
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate?
The IUPAC name of methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate (CID 22970010) is methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate is COC(=O)c1cc2c(c(OC)n1)COC(=O)C2(C)O.
What is the InChIKey of methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate?
The InChIKey is VPNFXPLIBVZTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6/c1-12(16)7-4-8(10(14)18-3)13-9(17-2)6(7)5-19-11(12)15/h4,16H,5H2,1-3H3.
What are the key properties of methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate?
methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate has a molecular weight of 267.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-8-methoxy-4-methyl-3-oxo-1H-pyrano[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 22970010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).