3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine

C15H11N3O2 — CID 6080576

IUPAC3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccc(/C=C/c2ncc3ccccn23)c1
InChIInChI=1S/C15H11N3O2/c19-18(20)13-6-3-4-12(10-13)7-8-15-16-11-14-5-1-2-9-17(14)15/h1-11H/b8-7+
InChIKeyVTSLMDLWDORMQH-BQYQJAHWSA-N
MW265.27 g/mol
LogP3.41
Rot. Bonds3

About 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine

3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine (PubChem CID 6080576) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine
PubChem CID6080576
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine
SMILESO=[N+]([O-])c1cccc(/C=C/c2ncc3ccccn23)c1
InChIInChI=1S/C15H11N3O2/c19-18(20)13-6-3-4-12(10-13)7-8-15-16-11-14-5-1-2-9-17(14)15/h1-11H/b8-7+
InChIKeyVTSLMDLWDORMQH-BQYQJAHWSA-N
XLogP3.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.41
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

3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 6199001
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole
CID 135541183
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyrrole
CID 10036726
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
1-methyl-4-[2-(3-nitrophenyl)ethenyl]cinnolin-1-ium
CID 54157738
4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
CID 21118397
2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 5298402
N-methyl-1-(3-nitrophenyl)methanimine oxide
CID 4640980
3-ethyl-2-[2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 629407

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine (CID 6080576) is 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine is O=[N+]([O-])c1cccc(/C=C/c2ncc3ccccn23)c1.
What is the InChIKey of 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine?
The InChIKey is VTSLMDLWDORMQH-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11N3O2/c19-18(20)13-6-3-4-12(10-13)7-8-15-16-11-14-5-1-2-9-17(14)15/h1-11H/b8-7+.
What are the key properties of 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine?
3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine has a molecular weight of 265.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 6080576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).