6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine

C12H14BrClN2 — CID 39133122

IUPAC6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2ccc(Br)cn2c1CCl
InChIInChI=1S/C12H14BrClN2/c1-12(2,3)11-9(6-14)16-7-8(13)4-5-10(16)15-11/h4-5,7H,6H2,1-3H3
InChIKeyOHTPUZKGFSRPLY-UHFFFAOYSA-N
MW301.62 g/mol
LogP4.13
Rot. Bonds1

About 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine

6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine (PubChem CID 39133122) has the molecular formula C12H14BrClN2 and a molecular weight of 301.62 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine
PubChem CID39133122
Molecular FormulaC12H14BrClN2
Molecular Weight301.62 g/mol
Exact Mass300.00
IUPAC Name6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine
SMILESCC(C)(C)c1nc2ccc(Br)cn2c1CCl
InChIInChI=1S/C12H14BrClN2/c1-12(2,3)11-9(6-14)16-7-8(13)4-5-10(16)15-11/h4-5,7H,6H2,1-3H3
InChIKeyOHTPUZKGFSRPLY-UHFFFAOYSA-N
XLogP4.13
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.62
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromo-2-tert-butylimidazo[1,2-a]pyridin-3-yl)amino]-N-hydroxyacetamide
CID 141239404
(2-tert-butyl-6-chloroimidazo[1,2-a]pyridin-3-yl)methanamine
CID 39199530
1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-methylpropan-2-amine
CID 22298779
[2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060770
6-bromo-2-(3-chlorophenyl)-3-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 51361246
(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 90420783
2-(2-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82530312
2-(6-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82030285
3-[[bis(2-methoxyethyl)amino]methyl]-2-tert-butylimidazo[1,2-a]pyridin-6-amine
CID 39121366
6-bromo-2-methyl-3-nitrosoimidazo[1,2-a]pyridine
CID 82356837
ethyl 6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 75365536
1-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 21345663

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine (CID 39133122) is 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine is CC(C)(C)c1nc2ccc(Br)cn2c1CCl.
What is the InChIKey of 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine?
The InChIKey is OHTPUZKGFSRPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2/c1-12(2,3)11-9(6-14)16-7-8(13)4-5-10(16)15-11/h4-5,7H,6H2,1-3H3.
What are the key properties of 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine?
6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine has a molecular weight of 301.62 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-3-(chloromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 39133122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).