2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine

C15H13N3O — CID 82356222

IUPAC2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCCc1ccc(-c2nc3ccccn3c2N=O)cc1
InChIInChI=1S/C15H13N3O/c1-2-11-6-8-12(9-7-11)14-15(17-19)18-10-4-3-5-13(18)16-14/h3-10H,2H2,1H3
InChIKeyUQNGZKRZVUVYMV-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.96
Rot. Bonds3

About 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine

2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (PubChem CID 82356222) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
PubChem CID82356222
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine
SMILESCCc1ccc(-c2nc3ccccn3c2N=O)cc1
InChIInChI=1S/C15H13N3O/c1-2-11-6-8-12(9-7-11)14-15(17-19)18-10-4-3-5-13(18)16-14/h3-10H,2H2,1H3
InChIKeyUQNGZKRZVUVYMV-UHFFFAOYSA-N
XLogP3.96
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine (CID 82356222) is 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is CCc1ccc(-c2nc3ccccn3c2N=O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
The InChIKey is UQNGZKRZVUVYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-11-6-8-12(9-7-11)14-15(17-19)18-10-4-3-5-13(18)16-14/h3-10H,2H2,1H3.
What are the key properties of 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine?
2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine has a molecular weight of 251.29 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-3-nitrosoimidazo[1,2-a]pyridine is sourced from PubChem (CID 82356222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).