2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium

C13H10N3O2+ — CID 4290496

IUPAC2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium
SMILESO=[N+]([O-])c1cccc(-c2c[n+]3ccccc3[nH]2)c1
InChIInChI=1S/C13H9N3O2/c17-16(18)11-5-3-4-10(8-11)12-9-15-7-2-1-6-13(15)14-12/h1-9H/p+1
InChIKeySPUPFENARGKGHC-UHFFFAOYSA-O
MW240.24 g/mol
LogP2.33
Rot. Bonds2

About 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium

2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium (PubChem CID 4290496) has the molecular formula C13H10N3O2+ and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium
PubChem CID4290496
Molecular FormulaC13H10N3O2+
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium
SMILESO=[N+]([O-])c1cccc(-c2c[n+]3ccccc3[nH]2)c1
InChIInChI=1S/C13H9N3O2/c17-16(18)11-5-3-4-10(8-11)12-9-15-7-2-1-6-13(15)14-12/h1-9H/p+1
InChIKeySPUPFENARGKGHC-UHFFFAOYSA-O
XLogP2.33
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole
CID 102369150
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
3-(hydroxymethyl)-6-(3-nitrophenyl)-1H-pyridin-2-one
CID 82517149
formic acid;1-nitro-3-phenylbenzene
CID 158057338
2-(4-nitrophenyl)-1H-imidazo[1,2-a]pyrimidin-4-ium
CID 4074899
4-(3-nitrophenyl)-2,6-bis(1-oxidopyridin-1-ium-2-yl)pyridine
CID 54458000
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706
CID 66849213
CID 66849213
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
iodo hydrogen sulfate;1-nitro-3-phenylbenzene
CID 174702037
2-[6-(3-nitrophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 82517135

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium (CID 4290496) is 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium is O=[N+]([O-])c1cccc(-c2c[n+]3ccccc3[nH]2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is SPUPFENARGKGHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H9N3O2/c17-16(18)11-5-3-4-10(8-11)12-9-15-7-2-1-6-13(15)14-12/h1-9H/p+1.
What are the key properties of 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium?
2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 240.24 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 4290496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).