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

C10H10N2O3S — CID 117255464

IUPAC7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCSCc1nc(C(=O)O)c2cc(O)ccn12
InChIInChI=1S/C10H10N2O3S/c1-16-5-8-11-9(10(14)15)7-4-6(13)2-3-12(7)8/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyTVNHTVJCQHJEEQ-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.60
Rot. Bonds3

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

7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117255464) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117255464
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCSCc1nc(C(=O)O)c2cc(O)ccn12
InChIInChI=1S/C10H10N2O3S/c1-16-5-8-11-9(10(14)15)7-4-6(13)2-3-12(7)8/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyTVNHTVJCQHJEEQ-UHFFFAOYSA-N
XLogP1.60
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251556
7-hydroxy-3-(methylsulfonylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255433
7-hydroxy-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255453
6-methyl-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255410
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
3-(1-ethylpyrrolidin-3-yl)-7-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251624
1-(1-bromo-7-hydroxyimidazo[1,5-a]pyridin-3-yl)propan-2-one
CID 117253980
7-amino-3-[(4-hydroxyphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255515

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117255464) is 7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is CSCc1nc(C(=O)O)c2cc(O)ccn12.
What is the InChIKey of 7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is TVNHTVJCQHJEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-16-5-8-11-9(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-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(methylsulfanylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117255464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).