3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid

C15H12N2O3 — CID 117252385

IUPAC3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(Cc2ccccc2)n2cccc(O)c12
InChIInChI=1S/C15H12N2O3/c18-11-7-4-8-17-12(9-10-5-2-1-3-6-10)16-13(14(11)17)15(19)20/h1-8,18H,9H2,(H,19,20)
InChIKeyRTJCYSRKNZLSEF-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.33
Rot. Bonds3

About 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid

3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117252385) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117252385
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESO=C(O)c1nc(Cc2ccccc2)n2cccc(O)c12
InChIInChI=1S/C15H12N2O3/c18-11-7-4-8-17-12(9-10-5-2-1-3-6-10)16-13(14(11)17)15(19)20/h1-8,18H,9H2,(H,19,20)
InChIKeyRTJCYSRKNZLSEF-UHFFFAOYSA-N
XLogP2.33
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254530
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252133
3-benzyl-1-chloroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252376
8-bromo-3-(2-phenylethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745293
8-hydroxy-3-[(3-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255569
3-benzyl-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 136756841
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
3-(1-aminoethyl)-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254853
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252400
methyl 8-hydroxy-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117254937

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117252385) is 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid is O=C(O)c1nc(Cc2ccccc2)n2cccc(O)c12.
What is the InChIKey of 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is RTJCYSRKNZLSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-11-7-4-8-17-12(9-10-5-2-1-3-6-10)16-13(14(11)17)15(19)20/h1-8,18H,9H2,(H,19,20).
What are the key properties of 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid?
3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-8-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117252385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).