3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid

C13H11ClN2O5 — CID 117248395

About 3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid

3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid (PubChem CID 117248395) has the molecular formula C13H11ClN2O5 and a molecular weight of 310.69 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid.

Molecular Properties

• Compound Name: 3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
• PubChem CID: 117248395
• Molecular Formula: C13H11ClN2O5
• Molecular Weight: 310.69 g/mol
• Exact Mass: 310.04
• IUPAC Name: 3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid
• SMILES: O=C(O)c1nc(-c2ccc(Cl)o2)n2c1CCC(C(=O)O)C2
• InChI: InChI=1S/C13H11ClN2O5/c14-9-4-3-8(21-9)11-15-10(13(19)20)7-2-1-6(12(17)18)5-16(7)11/h3-4,6H,1-2,5H2,(H,17,18)(H,19,20)
• InChIKey: ONFSGVBLOONTOT-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 105.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.69
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid (CID 117248395) is 3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid.

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

The canonical SMILES for 3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid is O=C(O)c1nc(-c2ccc(Cl)o2)n2c1CCC(C(=O)O)C2.

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

The InChIKey is ONFSGVBLOONTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O5/c14-9-4-3-8(21-9)11-15-10(13(19)20)7-2-1-6(12(17)18)5-16(7)11/h3-4,6H,1-2,5H2,(H,17,18)(H,19,20).

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

3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid has a molecular weight of 310.69 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-chlorofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,6-dicarboxylic acid is sourced from PubChem (CID 117248395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).