7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine

C13H8BrN3O2 — CID 45158643

IUPAC7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cn3ccc(Br)cc3n2)cc1
InChIInChI=1S/C13H8BrN3O2/c14-10-5-6-16-8-12(15-13(16)7-10)9-1-3-11(4-2-9)17(18)19/h1-8H
InChIKeyTZVTVSXWZFWAHH-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.67
Rot. Bonds2

About 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine

7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine (PubChem CID 45158643) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
PubChem CID45158643
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1ccc(-c2cn3ccc(Br)cc3n2)cc1
InChIInChI=1S/C13H8BrN3O2/c14-10-5-6-16-8-12(15-13(16)7-10)9-1-3-11(4-2-9)17(18)19/h1-8H
InChIKeyTZVTVSXWZFWAHH-UHFFFAOYSA-N
XLogP3.67
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.67
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

7-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 117135502
2-(4-chlorophenyl)-6-nitroimidazo[1,2-a]pyridine
CID 67122921
2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234062
2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridine;2,4,6-trinitrophenol
CID 19234074
2-(4-bromophenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine
CID 165371576
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-4-nitrobenzamide
CID 121055658
6-nitro-2-[4-(triazol-1-yl)phenyl]imidazo[1,2-a]pyridine
CID 90332158
8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-6-carbaldehyde
CID 83966608
2-bromo-4-(4-nitrophenyl)-1,3-oxazole
CID 102974582
2-(3-bromophenyl)-7-chloroimidazo[1,2-a]pyridine
CID 117128097
2-(4-nitrophenyl)-5-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 45158613
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117135507

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine (CID 45158643) is 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine is O=[N+]([O-])c1ccc(-c2cn3ccc(Br)cc3n2)cc1.
What is the InChIKey of 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
The InChIKey is TZVTVSXWZFWAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-10-5-6-16-8-12(15-13(16)7-10)9-1-3-11(4-2-9)17(18)19/h1-8H.
What are the key properties of 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine?
7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine has a molecular weight of 318.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 45158643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).