3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid

C16H12N2O5 — CID 117252544

IUPAC3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c2c(C(=O)O)cccn12
InChIInChI=1S/C16H12N2O5/c1-23-11-7-3-2-5-9(11)14-17-12(16(21)22)13-10(15(19)20)6-4-8-18(13)14/h2-8H,1H3,(H,19,20)(H,21,22)
InChIKeyXYXMFAVIKUAVMK-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.41
Rot. Bonds4

About 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid

3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid (PubChem CID 117252544) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
PubChem CID117252544
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c2c(C(=O)O)cccn12
InChIInChI=1S/C16H12N2O5/c1-23-11-7-3-2-5-9(11)14-17-12(16(21)22)13-10(15(19)20)6-4-8-18(13)14/h2-8H,1H3,(H,19,20)(H,21,22)
InChIKeyXYXMFAVIKUAVMK-UHFFFAOYSA-N
XLogP2.41
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252473
8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
3-(2-methoxyphenyl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250797
5-hydroxy-2-(2-methoxyphenyl)-1-methyl-6-oxopyrimidine-4-carboxylic acid
CID 54711736
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
3-ethylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252398
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
8-methoxyindolizine-1-carboxylic acid
CID 169203127
3-(aminomethyl)-8-methoxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254847
3-propylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252400
8-methoxy-3-(phenoxymethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255555
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The IUPAC name of 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid (CID 117252544) is 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The canonical SMILES for 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid is COc1ccccc1-c1nc(C(=O)O)c2c(C(=O)O)cccn12.
What is the InChIKey of 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
The InChIKey is XYXMFAVIKUAVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-23-11-7-3-2-5-9(11)14-17-12(16(21)22)13-10(15(19)20)6-4-8-18(13)14/h2-8H,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid?
3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid has a molecular weight of 312.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid is sourced from PubChem (CID 117252544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).