2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine

C20H13ClN2O2 — CID 15881642

IUPAC2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine
SMILESO=[N+]([O-])c1ccc(-c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1
InChIInChI=1S/C20H13ClN2O2/c21-16-8-4-14(5-9-16)19-13-18-3-1-2-12-22(18)20(19)15-6-10-17(11-7-15)23(24)25/h1-13H
InChIKeyQYWUQYJWTIUXKU-UHFFFAOYSA-N
MW348.79 g/mol
LogP5.83
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine

2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine (PubChem CID 15881642) has the molecular formula C20H13ClN2O2 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine
PubChem CID15881642
Molecular FormulaC20H13ClN2O2
Molecular Weight348.79 g/mol
Exact Mass348.07
IUPAC Name2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine
SMILESO=[N+]([O-])c1ccc(-c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1
InChIInChI=1S/C20H13ClN2O2/c21-16-8-4-14(5-9-16)19-13-18-3-1-2-12-22(18)20(19)15-6-10-17(11-7-15)23(24)25/h1-13H
InChIKeyQYWUQYJWTIUXKU-UHFFFAOYSA-N
XLogP5.83
TPSA47.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.79
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine (CID 15881642) is 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine is O=[N+]([O-])c1ccc(-c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine?
The InChIKey is QYWUQYJWTIUXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O2/c21-16-8-4-14(5-9-16)19-13-18-3-1-2-12-22(18)20(19)15-6-10-17(11-7-15)23(24)25/h1-13H.
What are the key properties of 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine?
2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine has a molecular weight of 348.79 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-nitrophenyl)indolizine is sourced from PubChem (CID 15881642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).