2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine

C13H9BrN4O2 — CID 114385734

IUPAC2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2ccc(Br)cc2[N+](=O)[O-])nc2ccccn12
InChIInChI=1S/C13H9BrN4O2/c14-8-4-5-9(10(7-8)18(19)20)12-13(15)17-6-2-1-3-11(17)16-12/h1-7H,15H2
InChIKeyQGWVKSYDIVINSC-UHFFFAOYSA-N
MW333.15 g/mol
LogP3.25
Rot. Bonds2

About 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine

2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 114385734) has the molecular formula C13H9BrN4O2 and a molecular weight of 333.15 g/mol. Its IUPAC name is 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID114385734
Molecular FormulaC13H9BrN4O2
Molecular Weight333.15 g/mol
Exact Mass331.99
IUPAC Name2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESNc1c(-c2ccc(Br)cc2[N+](=O)[O-])nc2ccccn12
InChIInChI=1S/C13H9BrN4O2/c14-8-4-5-9(10(7-8)18(19)20)12-13(15)17-6-2-1-3-11(17)16-12/h1-7H,15H2
InChIKeyQGWVKSYDIVINSC-UHFFFAOYSA-N
XLogP3.25
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.15
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-bromo-2-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617916
3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine
CID 143410085
2-(4-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 55249543
2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 154583974
2-(4-bromo-2-nitrophenyl)-1-phenylindole
CID 118197296
2-anthracen-9-ylimidazo[1,2-a]pyridin-3-amine
CID 71458200
4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
21-(4-bromo-2-nitrophenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 138728383
2-(3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 138039813
2-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63618084
5-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,3,4-thiadiazol-2-amine
CID 71388944
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine (CID 114385734) is 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine is Nc1c(-c2ccc(Br)cc2[N+](=O)[O-])nc2ccccn12.
What is the InChIKey of 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is QGWVKSYDIVINSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN4O2/c14-8-4-5-9(10(7-8)18(19)20)12-13(15)17-6-2-1-3-11(17)16-12/h1-7H,15H2.
What are the key properties of 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine?
2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 333.15 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 114385734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).