ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate

C17H14N2O3 — CID 4564483

IUPACethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccncc2)c(C=O)n2ccccc12
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)16-13-5-3-4-10-19(13)14(11-20)15(16)12-6-8-18-9-7-12/h3-11H,2H2,1H3
InChIKeyANJFUQJXMULTDA-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.99
Rot. Bonds4

About ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate

ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate (PubChem CID 4564483) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
PubChem CID4564483
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccncc2)c(C=O)n2ccccc12
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)16-13-5-3-4-10-19(13)14(11-20)15(16)12-6-8-18-9-7-12/h3-11H,2H2,1H3
InChIKeyANJFUQJXMULTDA-UHFFFAOYSA-N
XLogP2.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3706589
ethyl 2-(2-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3700050
ethyl 2-[3,5-di(butan-2-yl)-4-methoxyphenyl]-3-formylindolizine-1-carboxylate
CID 3555463
ethyl 2-(3-tert-butyl-4-ethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3817176
ethyl 2-(3-tert-butyl-4-methoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3693687
ethyl 2-(2-bromo-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3788473
ethyl 2-(2-chloro-5-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3839129
ethyl 2-(2,4-dichlorophenyl)-3-formylindolizine-1-carboxylate
CID 3816336
ethyl 2-(4-ethoxy-2-methylphenyl)-3-formylindolizine-1-carboxylate
CID 3830704
ethyl 2-(3-ethyl-4-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 5204233
ethyl 2-(5-chloro-2,4-dimethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3338828

Frequently Asked Questions

What is the IUPAC name of ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate (CID 4564483) is ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate is CCOC(=O)c1c(-c2ccncc2)c(C=O)n2ccccc12.
What is the InChIKey of ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate?
The InChIKey is ANJFUQJXMULTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-22-17(21)16-13-5-3-4-10-19(13)14(11-20)15(16)12-6-8-18-9-7-12/h3-11H,2H2,1H3.
What are the key properties of ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate?
ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate is sourced from PubChem (CID 4564483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).