2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid

C10H9BrN2O2 — CID 83903023

IUPAC2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid
SMILESCC(C(=O)O)c1ccn2cnc(Br)c2c1
InChIInChI=1S/C10H9BrN2O2/c1-6(10(14)15)7-2-3-13-5-12-9(11)8(13)4-7/h2-6H,1H3,(H,14,15)
InChIKeyDGHWYRFNPMPDOA-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.28
Rot. Bonds2

About 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid

2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid (PubChem CID 83903023) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid
PubChem CID83903023
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid
SMILESCC(C(=O)O)c1ccn2cnc(Br)c2c1
InChIInChI=1S/C10H9BrN2O2/c1-6(10(14)15)7-2-3-13-5-12-9(11)8(13)4-7/h2-6H,1H3,(H,14,15)
InChIKeyDGHWYRFNPMPDOA-UHFFFAOYSA-N
XLogP2.28
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid?
The IUPAC name of 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid (CID 83903023) is 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid.
What is the SMILES notation for 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid?
The canonical SMILES for 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid is CC(C(=O)O)c1ccn2cnc(Br)c2c1.
What is the InChIKey of 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid?
The InChIKey is DGHWYRFNPMPDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c1-6(10(14)15)7-2-3-13-5-12-9(11)8(13)4-7/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid?
2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid has a molecular weight of 269.10 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoimidazo[1,5-a]pyridin-7-yl)propanoic acid is sourced from PubChem (CID 83903023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).