5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine

C14H10N4O3 — CID 82356477

IUPAC5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)c(N=O)n12
InChIInChI=1S/C14H10N4O3/c1-9-3-2-4-12-15-13(14(16-19)17(9)12)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3
InChIKeyYYWBIELHGIZVEO-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.62
Rot. Bonds3

About 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine

5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356477) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356477
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)c(N=O)n12
InChIInChI=1S/C14H10N4O3/c1-9-3-2-4-12-15-13(14(16-19)17(9)12)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3
InChIKeyYYWBIELHGIZVEO-UHFFFAOYSA-N
XLogP3.62
TPSA89.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199222
6-fluoro-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356743
[5-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199238
2-(2-ethoxy-5-methylphenyl)-5-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356508
2-[(Z)-1-chloro-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 9027151
6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 67546543
5-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 63618459
2,5-dimethyl-4-(4-nitrophenyl)-1,3-thiazole
CID 67621456
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
2-(4-nitrophenyl)-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 123510105
1-methyl-2-(4-nitrophenyl)pyrazolo[5,1-a]isoquinoline
CID 134909172
3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878850

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine (CID 82356477) is 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine is Cc1cccc2nc(-c3ccc([N+](=O)[O-])cc3)c(N=O)n12.
What is the InChIKey of 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is YYWBIELHGIZVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c1-9-3-2-4-12-15-13(14(16-19)17(9)12)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3.
What are the key properties of 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine?
5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 282.26 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-nitrophenyl)-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).