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

C12H14N2O3 — CID 117254561

IUPAC3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cccn2c(CC(C)O)nc(C(=O)O)c12
InChIInChI=1S/C12H14N2O3/c1-7-4-3-5-14-9(6-8(2)15)13-10(11(7)14)12(16)17/h3-5,8,15H,6H2,1-2H3,(H,16,17)
InChIKeyFXERYWHMQNQZBZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.26
Rot. Bonds3

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

3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117254561) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117254561
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1cccn2c(CC(C)O)nc(C(=O)O)c12
InChIInChI=1S/C12H14N2O3/c1-7-4-3-5-14-9(6-8(2)15)13-10(11(7)14)12(16)17/h3-5,8,15H,6H2,1-2H3,(H,16,17)
InChIKeyFXERYWHMQNQZBZ-UHFFFAOYSA-N
XLogP1.26
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxy-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254530
8-bromo-3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254555
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
8-methyl-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255669
8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
3-(2-aminopropyl)-8-chloroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254982
8-amino-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254986
8-bromo-3-[2-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254990
8-hydroxy-3-(methoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255582
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
8-amino-3-ethylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83832703
1-[3-(aminomethyl)-8-methylimidazo[1,5-a]pyridin-1-yl]-2,2,2-trifluoroethanone
CID 84742360

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 117254561) is 3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid is Cc1cccn2c(CC(C)O)nc(C(=O)O)c12.
What is the InChIKey of 3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is FXERYWHMQNQZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7-4-3-5-14-9(6-8(2)15)13-10(11(7)14)12(16)17/h3-5,8,15H,6H2,1-2H3,(H,16,17).
What are the key properties of 3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117254561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).