3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid

C16H12N2O5 — CID 137005666

IUPAC3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)c1ccn2c(-c3ccccc3O)nc(C(=O)O)c2c1
InChIInChI=1S/C16H12N2O5/c1-23-16(22)9-6-7-18-11(8-9)13(15(20)21)17-14(18)10-4-2-3-5-12(10)19/h2-8,19H,1H3,(H,20,21)
InChIKeyAWSADCUYVUEHAO-UHFFFAOYSA-N
MW312.28 g/mol
LogP2.19
Rot. Bonds3

About 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid

3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 137005666) has the molecular formula C16H12N2O5 and a molecular weight of 312.28 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID137005666
Molecular FormulaC16H12N2O5
Molecular Weight312.28 g/mol
Exact Mass312.07
IUPAC Name3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)c1ccn2c(-c3ccccc3O)nc(C(=O)O)c2c1
InChIInChI=1S/C16H12N2O5/c1-23-16(22)9-6-7-18-11(8-9)13(15(20)21)17-14(18)10-4-2-3-5-12(10)19/h2-8,19H,1H3,(H,20,21)
InChIKeyAWSADCUYVUEHAO-UHFFFAOYSA-N
XLogP2.19
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742900
7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251578
7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 83837507
methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)imidazo[1,5-a]pyridin-3-yl]benzoate;methyl 4-hydroxy-3-[1-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]benzoate
CID 160796678
3-pyridin-3-ylimidazo[1,5-a]pyridine-1,7-dicarboxylic acid
CID 117251777
methyl 1-chloro-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117251991
methyl 3-benzyl-1-chloroimidazo[1,5-a]pyridine-7-carboxylate
CID 117251796
methyl 2-(2-methylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117135442
methyl 4-hydroxy-3-phenylbenzoate
CID 15066016
methyl 5-(2-hydroxyphenyl)pyridine-3-carboxylate
CID 117222190
3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250743
7-bromo-3-(4-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744919

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid (CID 137005666) is 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid is COC(=O)c1ccn2c(-c3ccccc3O)nc(C(=O)O)c2c1.
What is the InChIKey of 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is AWSADCUYVUEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O5/c1-23-16(22)9-6-7-18-11(8-9)13(15(20)21)17-14(18)10-4-2-3-5-12(10)19/h2-8,19H,1H3,(H,20,21).
What are the key properties of 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid?
3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 312.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 137005666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).