1-bromo-3-tert-butylimidazo[1,5-a]pyridine

C11H13BrN2 — CID 4738514

IUPAC1-bromo-3-tert-butylimidazo[1,5-a]pyridine
SMILESCC(C)(C)c1nc(Br)c2ccccn12
InChIInChI=1S/C11H13BrN2/c1-11(2,3)10-13-9(12)8-6-4-5-7-14(8)10/h4-7H,1-3H3
InChIKeyLSMBLISEDKSGLH-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.39
Rot. Bonds

About 1-bromo-3-tert-butylimidazo[1,5-a]pyridine

1-bromo-3-tert-butylimidazo[1,5-a]pyridine (PubChem CID 4738514) has the molecular formula C11H13BrN2 and a molecular weight of 253.14 g/mol. Its IUPAC name is 1-bromo-3-tert-butylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-3-tert-butylimidazo[1,5-a]pyridine
PubChem CID4738514
Molecular FormulaC11H13BrN2
Molecular Weight253.14 g/mol
Exact Mass252.03
IUPAC Name1-bromo-3-tert-butylimidazo[1,5-a]pyridine
SMILESCC(C)(C)c1nc(Br)c2ccccn12
InChIInChI=1S/C11H13BrN2/c1-11(2,3)10-13-9(12)8-6-4-5-7-14(8)10/h4-7H,1-3H3
InChIKeyLSMBLISEDKSGLH-UHFFFAOYSA-N
XLogP3.39
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-tert-butylimidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-3-tert-butylimidazo[1,5-a]pyridine (CID 4738514) is 1-bromo-3-tert-butylimidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-3-tert-butylimidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-3-tert-butylimidazo[1,5-a]pyridine is CC(C)(C)c1nc(Br)c2ccccn12.
What is the InChIKey of 1-bromo-3-tert-butylimidazo[1,5-a]pyridine?
The InChIKey is LSMBLISEDKSGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2/c1-11(2,3)10-13-9(12)8-6-4-5-7-14(8)10/h4-7H,1-3H3.
What are the key properties of 1-bromo-3-tert-butylimidazo[1,5-a]pyridine?
1-bromo-3-tert-butylimidazo[1,5-a]pyridine has a molecular weight of 253.14 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-tert-butylimidazo[1,5-a]pyridine is sourced from PubChem (CID 4738514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).