3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

C13H13BrN2O3 — CID 84606293

About 3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid

3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 84606293) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
• PubChem CID: 84606293
• Molecular Formula: C13H13BrN2O3
• Molecular Weight: 325.16 g/mol
• Exact Mass: 324.01
• IUPAC Name: 3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid
• SMILES: Cc1ccc(-c2nc(Br)n3c2CCC(C(=O)O)C3)o1
• InChI: InChI=1S/C13H13BrN2O3/c1-7-2-5-10(19-7)11-9-4-3-8(12(17)18)6-16(9)13(14)15-11/h2,5,8H,3-4,6H2,1H3,(H,17,18)
• InChIKey: UZDOLJSFVSPYFK-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 68.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.16
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid (CID 84606293) is 3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid.

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

The canonical SMILES for 3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is Cc1ccc(-c2nc(Br)n3c2CCC(C(=O)O)C3)o1.

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

The InChIKey is UZDOLJSFVSPYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c1-7-2-5-10(19-7)11-9-4-3-8(12(17)18)6-16(9)13(14)15-11/h2,5,8H,3-4,6H2,1H3,(H,17,18).

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

3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 325.16 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 84606293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).