ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate

C18H18N2O3 — CID 67036493

IUPACethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CO)ccn2c1-c1ccnc(C)c1
InChIInChI=1S/C18H18N2O3/c1-3-23-18(22)16-10-15-9-13(11-21)5-7-20(15)17(16)14-4-6-19-12(2)8-14/h4-10,21H,3,11H2,1-2H3
InChIKeyUIPAESZSMUCOBF-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.98
Rot. Bonds4

About ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate

ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate (PubChem CID 67036493) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate
PubChem CID67036493
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(CO)ccn2c1-c1ccnc(C)c1
InChIInChI=1S/C18H18N2O3/c1-3-23-18(22)16-10-15-9-13(11-21)5-7-20(15)17(16)14-4-6-19-12(2)8-14/h4-10,21H,3,11H2,1-2H3
InChIKeyUIPAESZSMUCOBF-UHFFFAOYSA-N
XLogP2.98
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.98
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-(2-methyl-4-pyridinyl)indolizine-2-carboxylate?
The IUPAC name of ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate (CID 67036493) is ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate.
What is the SMILES notation for ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate?
The canonical SMILES for ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate is CCOC(=O)c1cc2cc(CO)ccn2c1-c1ccnc(C)c1.
What is the InChIKey of ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate?
The InChIKey is UIPAESZSMUCOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-3-23-18(22)16-10-15-9-13(11-21)5-7-20(15)17(16)14-4-6-19-12(2)8-14/h4-10,21H,3,11H2,1-2H3.
What are the key properties of ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate?
ethyl 7-(hydroxymethyl)-3-(2-methyl-4-pyridinyl)indolizine-2-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.98, 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-(2-methyl-4-pyridinyl)indolizine-2-carboxylate is sourced from PubChem (CID 67036493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).