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

C13H15NO4 — CID 16658320

IUPACmethyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate
SMILESCCC1=COCc2c1cc(C(=O)OC)nc2OC
InChIInChI=1S/C13H15NO4/c1-4-8-6-18-7-10-9(8)5-11(13(15)17-3)14-12(10)16-2/h5-6H,4,7H2,1-3H3
InChIKeyPLCDSPNPVODSHE-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.16
Rot. Bonds3

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

methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate (PubChem CID 16658320) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate
PubChem CID16658320
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate
SMILESCCC1=COCc2c1cc(C(=O)OC)nc2OC
InChIInChI=1S/C13H15NO4/c1-4-8-6-18-7-10-9(8)5-11(13(15)17-3)14-12(10)16-2/h5-6H,4,7H2,1-3H3
InChIKeyPLCDSPNPVODSHE-UHFFFAOYSA-N
XLogP2.16
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate?
The IUPAC name of methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate (CID 16658320) is methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate is CCC1=COCc2c1cc(C(=O)OC)nc2OC.
What is the InChIKey of methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate?
The InChIKey is PLCDSPNPVODSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-4-8-6-18-7-10-9(8)5-11(13(15)17-3)14-12(10)16-2/h5-6H,4,7H2,1-3H3.
What are the key properties of methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate?
methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-8-methoxy-1H-pyrano[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 16658320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).