ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate

C23H17N3O5 — CID 71552134

IUPACethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c(-c3ccccn3)cccc12
InChIInChI=1S/C23H17N3O5/c1-2-31-23(28)16-14-21(22(27)15-8-3-4-10-19(15)26(29)30)25-18(16)11-7-12-20(25)17-9-5-6-13-24-17/h3-14H,2H2,1H3
InChIKeyLFKDJAFMDSGRNF-UHFFFAOYSA-N
MW415.41 g/mol
LogP4.32
Rot. Bonds6

About ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate

ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate (PubChem CID 71552134) has the molecular formula C23H17N3O5 and a molecular weight of 415.41 g/mol. Its IUPAC name is ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate
PubChem CID71552134
Molecular FormulaC23H17N3O5
Molecular Weight415.41 g/mol
Exact Mass415.12
IUPAC Nameethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c(-c3ccccn3)cccc12
InChIInChI=1S/C23H17N3O5/c1-2-31-23(28)16-14-21(22(27)15-8-3-4-10-19(15)26(29)30)25-18(16)11-7-12-20(25)17-9-5-6-13-24-17/h3-14H,2H2,1H3
InChIKeyLFKDJAFMDSGRNF-UHFFFAOYSA-N
XLogP4.32
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(4-methylphenyl)-7-(2-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4109670
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
ethyl 5-methyl-1-(3-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4072689
ethyl 2-methyl-3-nitrobenzoate
CID 2985503
ethyl 2-methyl-1-[(2-nitrophenyl)methyl]benzimidazole-4-carboxylate
CID 150903847
ethyl 3-(4-methylphenyl)-7-(3-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4109223
ethyl 5-methyl-1-(4-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4195476
ethyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 162206932
ethyl 2-(hydroxymethyl)-3-nitrobenzoate
CID 141366850
ethyl 3-(4-fluorophenyl)-7-(3-nitrobenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 51056800
ethyl 2-(3-nitrophenyl)benzoate
CID 71742619
diethyl 2-nitrobenzene-1,3-dicarboxylate
CID 51358457

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate (CID 71552134) is ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate is CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c(-c3ccccn3)cccc12.
What is the InChIKey of ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate?
The InChIKey is LFKDJAFMDSGRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O5/c1-2-31-23(28)16-14-21(22(27)15-8-3-4-10-19(15)26(29)30)25-18(16)11-7-12-20(25)17-9-5-6-13-24-17/h3-14H,2H2,1H3.
What are the key properties of ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate?
ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate has a molecular weight of 415.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-nitrobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate is sourced from PubChem (CID 71552134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).