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

C11H12N2O4 — CID 117252133

IUPAC8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOCCc1nc(C(=O)O)c2c(O)cccn12
InChIInChI=1S/C11H12N2O4/c1-17-6-4-8-12-9(11(15)16)10-7(14)3-2-5-13(8)10/h2-3,5,14H,4,6H2,1H3,(H,15,16)
InChIKeyPJPWMDOTAZXCFX-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.93
Rot. Bonds4

About 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid

8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117252133) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117252133
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOCCc1nc(C(=O)O)c2c(O)cccn12
InChIInChI=1S/C11H12N2O4/c1-17-6-4-8-12-9(11(15)16)10-7(14)3-2-5-13(8)10/h2-3,5,14H,4,6H2,1H3,(H,15,16)
InChIKeyPJPWMDOTAZXCFX-UHFFFAOYSA-N
XLogP0.93
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117252133) is 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is COCCc1nc(C(=O)O)c2c(O)cccn12.
What is the InChIKey of 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is PJPWMDOTAZXCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-17-6-4-8-12-9(11(15)16)10-7(14)3-2-5-13(8)10/h2-3,5,14H,4,6H2,1H3,(H,15,16).
What are the key properties of 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117252133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).