7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid

C10H8N2O4 — CID 83837507

IUPAC7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)c1ccn2cnc(C(=O)O)c2c1
InChIInChI=1S/C10H8N2O4/c1-16-10(15)6-2-3-12-5-11-8(9(13)14)7(12)4-6/h2-5H,1H3,(H,13,14)
InChIKeyFLLGGCAKZATUST-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.82
Rot. Bonds2

About 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid

7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 83837507) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID83837507
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)c1ccn2cnc(C(=O)O)c2c1
InChIInChI=1S/C10H8N2O4/c1-16-10(15)6-2-3-12-5-11-8(9(13)14)7(12)4-6/h2-5H,1H3,(H,13,14)
InChIKeyFLLGGCAKZATUST-UHFFFAOYSA-N
XLogP0.82
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005666
methyl 3-acetylbenzimidazole-5-carboxylate
CID 12795316
7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251578
3-methoxy-5-methoxycarbonylpyridine-2-carboxylic acid
CID 22923874
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
methyl 3-(dimethylamino)-1-methylindazole-6-carboxylate
CID 156503325
3-(3-methoxycarbonylbenzoyl)pyridine-2-carboxylic acid
CID 19700797
methyl 1-hydroxy-2-sulfanylidenepyridine-4-carboxylate
CID 154126498
methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117145359
methyl 3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 164580306
methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251991
ethane;4-methoxycarbonylphthalic acid
CID 143938031

Frequently Asked Questions

What is the IUPAC name of 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 83837507) is 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid is COC(=O)c1ccn2cnc(C(=O)O)c2c1.
What is the InChIKey of 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is FLLGGCAKZATUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-16-10(15)6-2-3-12-5-11-8(9(13)14)7(12)4-6/h2-5H,1H3,(H,13,14).
What are the key properties of 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 83837507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).