1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine

C10H11BrN2 — CID 28798022

IUPAC1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine
SMILESCC(C)c1nc(Br)c2ccccn12
InChIInChI=1S/C10H11BrN2/c1-7(2)10-12-9(11)8-5-3-4-6-13(8)10/h3-7H,1-2H3
InChIKeyLFZRMDCJAUZQTB-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.22
Rot. Bonds1

About 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine

1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine (PubChem CID 28798022) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine
PubChem CID28798022
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine
SMILESCC(C)c1nc(Br)c2ccccn12
InChIInChI=1S/C10H11BrN2/c1-7(2)10-12-9(11)8-5-3-4-6-13(8)10/h3-7H,1-2H3
InChIKeyLFZRMDCJAUZQTB-UHFFFAOYSA-N
XLogP3.22
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine (CID 28798022) is 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine is CC(C)c1nc(Br)c2ccccn12.
What is the InChIKey of 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine?
The InChIKey is LFZRMDCJAUZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-7(2)10-12-9(11)8-5-3-4-6-13(8)10/h3-7H,1-2H3.
What are the key properties of 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine?
1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine has a molecular weight of 239.12 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-propan-2-ylimidazo[1,5-a]pyridine is sourced from PubChem (CID 28798022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).