ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate

C12H15NO3 — CID 66685727

IUPACethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(c(C)n1)OCCC2
InChIInChI=1S/C12H15NO3/c1-3-15-12(14)10-7-9-5-4-6-16-11(9)8(2)13-10/h7H,3-6H2,1-2H3
InChIKeyDETIBGSHGAPUKI-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.89
Rot. Bonds2

About ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate

ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate (PubChem CID 66685727) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate
PubChem CID66685727
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(c(C)n1)OCCC2
InChIInChI=1S/C12H15NO3/c1-3-15-12(14)10-7-9-5-4-6-16-11(9)8(2)13-10/h7H,3-6H2,1-2H3
InChIKeyDETIBGSHGAPUKI-UHFFFAOYSA-N
XLogP1.89
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate (CID 66685727) is ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate is CCOC(=O)c1cc2c(c(C)n1)OCCC2.
What is the InChIKey of ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate?
The InChIKey is DETIBGSHGAPUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-15-12(14)10-7-9-5-4-6-16-11(9)8(2)13-10/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate?
ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 66685727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).