3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid

C11H11BrN2O2 — CID 116984856

IUPAC3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid
SMILESCC(CC(=O)O)c1nc(Br)c2ccccn12
InChIInChI=1S/C11H11BrN2O2/c1-7(6-9(15)16)11-13-10(12)8-4-2-3-5-14(8)11/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeySIHMQRDWNMIINK-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.67
Rot. Bonds3

About 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid

3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid (PubChem CID 116984856) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid
PubChem CID116984856
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid
SMILESCC(CC(=O)O)c1nc(Br)c2ccccn12
InChIInChI=1S/C11H11BrN2O2/c1-7(6-9(15)16)11-13-10(12)8-4-2-3-5-14(8)11/h2-5,7H,6H2,1H3,(H,15,16)
InChIKeySIHMQRDWNMIINK-UHFFFAOYSA-N
XLogP2.67
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid?
The IUPAC name of 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid (CID 116984856) is 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid.
What is the SMILES notation for 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid?
The canonical SMILES for 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid is CC(CC(=O)O)c1nc(Br)c2ccccn12.
What is the InChIKey of 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid?
The InChIKey is SIHMQRDWNMIINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7(6-9(15)16)11-13-10(12)8-4-2-3-5-14(8)11/h2-5,7H,6H2,1H3,(H,15,16).
What are the key properties of 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid?
3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid has a molecular weight of 283.12 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)butanoic acid is sourced from PubChem (CID 116984856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).