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

C17H17NO3 — CID 66685388

IUPACethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(c(-c3ccccc3)n1)OCCC2
InChIInChI=1S/C17H17NO3/c1-2-20-17(19)14-11-13-9-6-10-21-16(13)15(18-14)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeyPGZDIXARNADHDQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.25
Rot. Bonds3

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

ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate (PubChem CID 66685388) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate
PubChem CID66685388
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Nameethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc2c(c(-c3ccccc3)n1)OCCC2
InChIInChI=1S/C17H17NO3/c1-2-20-17(19)14-11-13-9-6-10-21-16(13)15(18-14)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeyPGZDIXARNADHDQ-UHFFFAOYSA-N
XLogP3.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate?
The IUPAC name of ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate (CID 66685388) is ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate is CCOC(=O)c1cc2c(c(-c3ccccc3)n1)OCCC2.
What is the InChIKey of ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate?
The InChIKey is PGZDIXARNADHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-2-20-17(19)14-11-13-9-6-10-21-16(13)15(18-14)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3.
What are the key properties of ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate?
ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-phenyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 66685388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).