6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine

C13H17BrN2 — CID 141154473

IUPAC6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(CC(C)(C)C)cnc12
InChIInChI=1S/C13H17BrN2/c1-9-5-10(14)8-16-11(6-13(2,3)4)7-15-12(9)16/h5,7-8H,6H2,1-4H3
InChIKeyPPKYOJNIYSSTBC-UHFFFAOYSA-N
MW281.20 g/mol
LogP3.99
Rot. Bonds1

About 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine

6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine (PubChem CID 141154473) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine
PubChem CID141154473
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine
SMILESCc1cc(Br)cn2c(CC(C)(C)C)cnc12
InChIInChI=1S/C13H17BrN2/c1-9-5-10(14)8-16-11(6-13(2,3)4)7-15-12(9)16/h5,7-8H,6H2,1-4H3
InChIKeyPPKYOJNIYSSTBC-UHFFFAOYSA-N
XLogP3.99
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine (CID 141154473) is 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine is Cc1cc(Br)cn2c(CC(C)(C)C)cnc12.
What is the InChIKey of 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine?
The InChIKey is PPKYOJNIYSSTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c1-9-5-10(14)8-16-11(6-13(2,3)4)7-15-12(9)16/h5,7-8H,6H2,1-4H3.
What are the key properties of 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine?
6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine has a molecular weight of 281.20 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2,2-dimethylpropyl)-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 141154473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).