3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid

C15H14N2O5 — CID 137005446

About 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid

3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid (PubChem CID 137005446) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid.

Molecular Properties

• Compound Name: 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
• PubChem CID: 137005446
• Molecular Formula: C15H14N2O5
• Molecular Weight: 302.29 g/mol
• Exact Mass: 302.09
• IUPAC Name: 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid
• SMILES: O=C(O)c1nc(-c2ccc(O)cc2)n2c1CCCC2C(=O)O
• InChI: InChI=1S/C15H14N2O5/c18-9-6-4-8(5-7-9)13-16-12(15(21)22)10-2-1-3-11(14(19)20)17(10)13/h4-7,11,18H,1-3H2,(H,19,20)(H,21,22)
• InChIKey: BVFBZMLQKZJZHB-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 112.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.29
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?

The IUPAC name of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid (CID 137005446) is 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid.

What is the SMILES notation for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?

The canonical SMILES for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid is O=C(O)c1nc(-c2ccc(O)cc2)n2c1CCCC2C(=O)O.

What is the InChIKey of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?

The InChIKey is BVFBZMLQKZJZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-9-6-4-8(5-7-9)13-16-12(15(21)22)10-2-1-3-11(14(19)20)17(10)13/h4-7,11,18H,1-3H2,(H,19,20)(H,21,22).

What are the key properties of 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid?

3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,5-dicarboxylic acid is sourced from PubChem (CID 137005446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).