1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol

C11H12BrN3O — CID 117253049

IUPAC1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol
SMILESOc1cccc2c(Br)nc(C3CCCN3)n12
InChIInChI=1S/C11H12BrN3O/c12-10-8-4-1-5-9(16)15(8)11(14-10)7-3-2-6-13-7/h1,4-5,7,13,16H,2-3,6H2
InChIKeyQEXRXIGUNUWWLH-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.23
Rot. Bonds1

About 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol

1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol (PubChem CID 117253049) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol
PubChem CID117253049
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol
SMILESOc1cccc2c(Br)nc(C3CCCN3)n12
InChIInChI=1S/C11H12BrN3O/c12-10-8-4-1-5-9(16)15(8)11(14-10)7-3-2-6-13-7/h1,4-5,7,13,16H,2-3,6H2
InChIKeyQEXRXIGUNUWWLH-UHFFFAOYSA-N
XLogP2.23
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol?
The IUPAC name of 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol (CID 117253049) is 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol?
The canonical SMILES for 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol is Oc1cccc2c(Br)nc(C3CCCN3)n12.
What is the InChIKey of 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol?
The InChIKey is QEXRXIGUNUWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-10-8-4-1-5-9(16)15(8)11(14-10)7-3-2-6-13-7/h1,4-5,7,13,16H,2-3,6H2.
What are the key properties of 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol?
1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol has a molecular weight of 282.14 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-pyrrolidin-2-ylimidazo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117253049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).