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

C13H10N2O3S — CID 117251758

IUPAC7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)c3cc(O)ccn23)s1
InChIInChI=1S/C13H10N2O3S/c1-7-2-3-10(19-7)12-14-11(13(17)18)9-6-8(16)4-5-15(9)12/h2-6,16H,1H3,(H,17,18)
InChIKeyAGRCSYSEKYJQPU-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.78
Rot. Bonds2

About 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117251758) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117251758
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)c3cc(O)ccn23)s1
InChIInChI=1S/C13H10N2O3S/c1-7-2-3-10(19-7)12-14-11(13(17)18)9-6-8(16)4-5-15(9)12/h2-6,16H,1H3,(H,17,18)
InChIKeyAGRCSYSEKYJQPU-UHFFFAOYSA-N
XLogP2.78
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117251758) is 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is Cc1ccc(-c2nc(C(=O)O)c3cc(O)ccn23)s1.
What is the InChIKey of 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is AGRCSYSEKYJQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-7-2-3-10(19-7)12-14-11(13(17)18)9-6-8(16)4-5-15(9)12/h2-6,16H,1H3,(H,17,18).
What are the key properties of 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117251758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).