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

C11H12N2O4 — CID 137005719

IUPAC5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(O)Cc1nc(C(=O)O)c2cccc(O)n12
InChIInChI=1S/C11H12N2O4/c1-6(14)5-8-12-10(11(16)17)7-3-2-4-9(15)13(7)8/h2-4,6,14-15H,5H2,1H3,(H,16,17)
InChIKeyOBSONBWXAPBWIH-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.66
Rot. Bonds3

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

5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 137005719) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID137005719
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCC(O)Cc1nc(C(=O)O)c2cccc(O)n12
InChIInChI=1S/C11H12N2O4/c1-6(14)5-8-12-10(11(16)17)7-3-2-4-9(15)13(7)8/h2-4,6,14-15H,5H2,1H3,(H,16,17)
InChIKeyOBSONBWXAPBWIH-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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Related Compounds

3-(2-aminoethyl)-5-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005753
5-amino-3-(2-aminopropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253231
methyl 3-(2-hydroxypropyl)-5-methoxyimidazo[1,5-a]pyridine-1-carboxylate
CID 117252733
8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254530
3-(5-hydroxy-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 137005772
5-hydroxy-3-(1-propan-2-ylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005552
3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254561
3-(aminomethyl)-5-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743102
methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254555
5-amino-3-(2,2-dimethylpropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250597
5-hydroxy-3-(1-methylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005550

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 137005719) is 5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CC(O)Cc1nc(C(=O)O)c2cccc(O)n12.
What is the InChIKey of 5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is OBSONBWXAPBWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-6(14)5-8-12-10(11(16)17)7-3-2-4-9(15)13(7)8/h2-4,6,14-15H,5H2,1H3,(H,16,17).
What are the key properties of 5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
5-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 5-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 137005719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).