3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol

C9H10BrN3O — CID 117253162

IUPAC3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol
SMILESNCCc1nc(Br)c2cccc(O)n12
InChIInChI=1S/C9H10BrN3O/c10-9-6-2-1-3-8(14)13(6)7(12-9)4-5-11/h1-3,14H,4-5,11H2
InChIKeyBFUOXLWYCMWDJP-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.30
Rot. Bonds2

About 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol

3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol (PubChem CID 117253162) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol
PubChem CID117253162
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol
SMILESNCCc1nc(Br)c2cccc(O)n12
InChIInChI=1S/C9H10BrN3O/c10-9-6-2-1-3-8(14)13(6)7(12-9)4-5-11/h1-3,14H,4-5,11H2
InChIKeyBFUOXLWYCMWDJP-UHFFFAOYSA-N
XLogP1.30
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol?
The IUPAC name of 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol (CID 117253162) is 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol?
The canonical SMILES for 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol is NCCc1nc(Br)c2cccc(O)n12.
What is the InChIKey of 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol?
The InChIKey is BFUOXLWYCMWDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c10-9-6-2-1-3-8(14)13(6)7(12-9)4-5-11/h1-3,14H,4-5,11H2.
What are the key properties of 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol?
3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol has a molecular weight of 256.10 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-bromoimidazo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117253162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).