8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine

C11H12BrN3O2 — CID 22038560

IUPAC8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine
SMILESCC(C)(Cc1cnc2c(Br)cccn12)[N+](=O)[O-]
InChIInChI=1S/C11H12BrN3O2/c1-11(2,15(16)17)6-8-7-13-10-9(12)4-3-5-14(8)10/h3-5,7H,6H2,1-2H3
InChIKeyWBDDMLTYSLFRLP-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.69
Rot. Bonds3

About 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine

8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine (PubChem CID 22038560) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine
PubChem CID22038560
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine
SMILESCC(C)(Cc1cnc2c(Br)cccn12)[N+](=O)[O-]
InChIInChI=1S/C11H12BrN3O2/c1-11(2,15(16)17)6-8-7-13-10-9(12)4-3-5-14(8)10/h3-5,7H,6H2,1-2H3
InChIKeyWBDDMLTYSLFRLP-UHFFFAOYSA-N
XLogP2.69
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.69
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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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine (CID 22038560) is 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine is CC(C)(Cc1cnc2c(Br)cccn12)[N+](=O)[O-].
What is the InChIKey of 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine?
The InChIKey is WBDDMLTYSLFRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-11(2,15(16)17)6-8-7-13-10-9(12)4-3-5-14(8)10/h3-5,7H,6H2,1-2H3.
What are the key properties of 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine?
8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine has a molecular weight of 298.14 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 22038560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).