2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine

C13H8ClN3O2 — CID 67122921

IUPAC2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)cn2c1
InChIInChI=1S/C13H8ClN3O2/c14-10-3-1-9(2-4-10)12-8-16-7-11(17(18)19)5-6-13(16)15-12/h1-8H
InChIKeyAQWRGTUNDIZETA-UHFFFAOYSA-N
MW273.68 g/mol
LogP3.56
Rot. Bonds2

About 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine

2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine (PubChem CID 67122921) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
PubChem CID67122921
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)cn2c1
InChIInChI=1S/C13H8ClN3O2/c14-10-3-1-9(2-4-10)12-8-16-7-11(17(18)19)5-6-13(16)15-12/h1-8H
InChIKeyAQWRGTUNDIZETA-UHFFFAOYSA-N
XLogP3.56
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 90332158
2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234062
2-cyclopropyl-6-nitroimidazo[1,2-a]pyridine
CID 23120518
2-(4-bromophenyl)-6-chloroimidazo[1,2-a]pyridine;hydrobromide
CID 67123039
7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 45158643
6-chloro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 78910138
6-chloro-2-[(4-nitrophenoxy)methyl]imidazo[1,2-a]pyridine
CID 4806396
CID 70381437
CID 70381437
2-(3-chloro-4-fluorophenyl)imidazo[1,2-a]pyridin-6-amine
CID 63944685
1-chloro-4-nitrobenzene;ethane
CID 90737802
5-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-oxazole
CID 25204119
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole
CID 165349290

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine (CID 67122921) is 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)cn2c1.
What is the InChIKey of 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine?
The InChIKey is AQWRGTUNDIZETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-10-3-1-9(2-4-10)12-8-16-7-11(17(18)19)5-6-13(16)15-12/h1-8H.
What are the key properties of 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine?
2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine has a molecular weight of 273.68 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 67122921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).