methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate

C10H11NO4 — CID 131444289

IUPACmethyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate
SMILESCOC(=O)c1c2c(c[nH]c1=O)COCC2
InChIInChI=1S/C10H11NO4/c1-14-10(13)8-7-2-3-15-5-6(7)4-11-9(8)12/h4H,2-3,5H2,1H3,(H,11,12)
InChIKeySGHZGRSIJMGPLU-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.23
Rot. Bonds1

About methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate

methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate (PubChem CID 131444289) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate
PubChem CID131444289
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namemethyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate
SMILESCOC(=O)c1c2c(c[nH]c1=O)COCC2
InChIInChI=1S/C10H11NO4/c1-14-10(13)8-7-2-3-15-5-6(7)4-11-9(8)12/h4H,2-3,5H2,1H3,(H,11,12)
InChIKeySGHZGRSIJMGPLU-UHFFFAOYSA-N
XLogP0.23
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate?
The IUPAC name of methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate (CID 131444289) is methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate.
What is the SMILES notation for methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate?
The canonical SMILES for methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate is COC(=O)c1c2c(c[nH]c1=O)COCC2.
What is the InChIKey of methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate?
The InChIKey is SGHZGRSIJMGPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-10(13)8-7-2-3-15-5-6(7)4-11-9(8)12/h4H,2-3,5H2,1H3,(H,11,12).
What are the key properties of methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate?
methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate has a molecular weight of 209.20 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 131444289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).