8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C11H12N2O4 — CID 117254530

IUPAC8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(O)Cc1nc(C(=O)O)c2c(O)cccn12
InChIInChI=1S/C11H12N2O4/c1-6(14)5-8-12-9(11(16)17)10-7(15)3-2-4-13(8)10/h2-4,6,14-15H,5H2,1H3,(H,16,17)
InChIKeyQZIDRWCCYOQMPR-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.66
Rot. Bonds3

About 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254530) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254530
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(O)Cc1nc(C(=O)O)c2c(O)cccn12
InChIInChI=1S/C11H12N2O4/c1-6(14)5-8-12-9(11(16)17)10-7(15)3-2-4-13(8)10/h2-4,6,14-15H,5H2,1H3,(H,16,17)
InChIKeyQZIDRWCCYOQMPR-UHFFFAOYSA-N
XLogP0.66
TPSA95.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254530) is 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CC(O)Cc1nc(C(=O)O)c2c(O)cccn12.
What is the InChIKey of 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is QZIDRWCCYOQMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-6(14)5-8-12-9(11(16)17)10-7(15)3-2-4-13(8)10/h2-4,6,14-15H,5H2,1H3,(H,16,17).
What are the key properties of 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).