3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

C15H16N2O3 — CID 137005501

About 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid

3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 137005501) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• PubChem CID: 137005501
• Molecular Formula: C15H16N2O3
• Molecular Weight: 272.30 g/mol
• Exact Mass: 272.12
• IUPAC Name: 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
• SMILES: CC1CCn2c(-c3ccccc3O)nc(C(=O)O)c2C1
• InChI: InChI=1S/C15H16N2O3/c1-9-6-7-17-11(8-9)13(15(19)20)16-14(17)10-4-2-3-5-12(10)18/h2-5,9,18H,6-8H2,1H3,(H,19,20)
• InChIKey: XNBFNVYMSHTAEF-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 75.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.30
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The IUPAC name of 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid (CID 137005501) is 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid.

What is the SMILES notation for 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The canonical SMILES for 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is CC1CCn2c(-c3ccccc3O)nc(C(=O)O)c2C1.

What is the InChIKey of 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

The InChIKey is XNBFNVYMSHTAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-6-7-17-11(8-9)13(15(19)20)16-14(17)10-4-2-3-5-12(10)18/h2-5,9,18H,6-8H2,1H3,(H,19,20).

What are the key properties of 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid?

3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-hydroxyphenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 137005501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).