ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate

C17H16N2O3 — CID 67036517

IUPACethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CO)ccn2c1-c1cccnc1
InChIInChI=1S/C17H16N2O3/c1-2-22-17(21)15-9-14-8-12(11-20)5-7-19(14)16(15)13-4-3-6-18-10-13/h3-10,20H,2,11H2,1H3
InChIKeyJCDWUFRCDPDQEN-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.67
Rot. Bonds4

About ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate

ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate (PubChem CID 67036517) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate
PubChem CID67036517
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CO)ccn2c1-c1cccnc1
InChIInChI=1S/C17H16N2O3/c1-2-22-17(21)15-9-14-8-12(11-20)5-7-19(14)16(15)13-4-3-6-18-10-13/h3-10,20H,2,11H2,1H3
InChIKeyJCDWUFRCDPDQEN-UHFFFAOYSA-N
XLogP2.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate?
The IUPAC name of ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate (CID 67036517) is ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate.
What is the SMILES notation for ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate?
The canonical SMILES for ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate is CCOC(=O)c1cc2cc(CO)ccn2c1-c1cccnc1.
What is the InChIKey of ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate?
The InChIKey is JCDWUFRCDPDQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-22-17(21)15-9-14-8-12(11-20)5-7-19(14)16(15)13-4-3-6-18-10-13/h3-10,20H,2,11H2,1H3.
What are the key properties of ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate?
ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(hydroxymethyl)-3-pyridin-3-ylindolizine-2-carboxylate is sourced from PubChem (CID 67036517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).