7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid

C12H7BrN2O2S — CID 84744734

IUPAC7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)n2ccc(Br)cc12
InChIInChI=1S/C12H7BrN2O2S/c13-7-3-4-15-8(6-7)10(12(16)17)14-11(15)9-2-1-5-18-9/h1-6H,(H,16,17)
InChIKeyWGIMKGDFKXZIRB-UHFFFAOYSA-N
MW323.17 g/mol
LogP3.52
Rot. Bonds2

About 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid

7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84744734) has the molecular formula C12H7BrN2O2S and a molecular weight of 323.17 g/mol. Its IUPAC name is 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84744734
Molecular FormulaC12H7BrN2O2S
Molecular Weight323.17 g/mol
Exact Mass321.94
IUPAC Name7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)n2ccc(Br)cc12
InChIInChI=1S/C12H7BrN2O2S/c13-7-3-4-15-8(6-7)10(12(16)17)14-11(15)9-2-1-5-18-9/h1-6H,(H,16,17)
InChIKeyWGIMKGDFKXZIRB-UHFFFAOYSA-N
XLogP3.52
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 84744734) is 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(-c2cccs2)n2ccc(Br)cc12.
What is the InChIKey of 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is WGIMKGDFKXZIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O2S/c13-7-3-4-15-8(6-7)10(12(16)17)14-11(15)9-2-1-5-18-9/h1-6H,(H,16,17).
What are the key properties of 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid?
7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 323.17 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84744734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).