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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Related Compounds

2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid
CID 22038573
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 117256804
1-(8-bromoimidazo[1,2-a]pyridin-3-yl)ethanone;(8-bromoimidazo[1,2-a]pyridin-3-yl)methanol
CID 164947783
8-bromoimidazo[1,2-a]pyridin-3-ol
CID 105466458
8-bromoimidazo[1,2-a]pyridine-3-carbaldehyde
CID 58449869
3-(2,2-dimethylpropyl)imidazo[2,1-a]isoquinoline
CID 58517919
8-bromoimidazo[1,2-a]pyridine-3-carbonitrile
CID 126573761
3-(chloromethyl)-8-methylimidazo[1,2-a]pyridine
CID 10726071
3-ethyl-8-propan-2-yloxyimidazo[1,2-a]pyridine
CID 54300351
(E)-3-(8-bromoimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 82529321
1-(8-chloroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83884133
1-(8-bromoimidazo[1,2-a]pyridin-3-yl)cyclopropan-1-amine
CID 84804181

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).