7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C10H10N2O5S — CID 117255433

IUPAC7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCS(=O)(=O)Cc1nc(C(=O)O)c2cc(O)ccn12
InChIInChI=1S/C10H10N2O5S/c1-18(16,17)5-8-11-9(10(14)15)7-4-6(13)2-3-12(7)8/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyUUFZSFDARRDHGJ-UHFFFAOYSA-N
MW270.27 g/mol
LogP0.28
Rot. Bonds3

About 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255433) has the molecular formula C10H10N2O5S and a molecular weight of 270.27 g/mol. Its IUPAC name is 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255433
Molecular FormulaC10H10N2O5S
Molecular Weight270.27 g/mol
Exact Mass270.03
IUPAC Name7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCS(=O)(=O)Cc1nc(C(=O)O)c2cc(O)ccn12
InChIInChI=1S/C10H10N2O5S/c1-18(16,17)5-8-11-9(10(14)15)7-4-6(13)2-3-12(7)8/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyUUFZSFDARRDHGJ-UHFFFAOYSA-N
XLogP0.28
TPSA108.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255464
7-hydroxy-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251556
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
8-amino-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255613
7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255515
7-hydroxy-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254200
7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251758
2-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117254481
7-hydroxy-3-(1-methylpiperidin-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251690
7-bromo-3-[(dimethylamino)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255480
7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255504
3-(1-ethylpyrrolidin-3-yl)-7-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251624

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255433) is 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CS(=O)(=O)Cc1nc(C(=O)O)c2cc(O)ccn12.
What is the InChIKey of 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is UUFZSFDARRDHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5S/c1-18(16,17)5-8-11-9(10(14)15)7-4-6(13)2-3-12(7)8/h2-4,13H,5H2,1H3,(H,14,15).
What are the key properties of 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 270.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).