3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

C12H17ClN2O2 — CID 117249922

About 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid

3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117249922) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

• Compound Name: 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
• PubChem CID: 117249922
• Molecular Formula: C12H17ClN2O2
• Molecular Weight: 256.73 g/mol
• Exact Mass: 256.10
• IUPAC Name: 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
• SMILES: CC(C)(C)c1nc(Cl)c2n1CCCC2C(=O)O
• InChI: InChI=1S/C12H17ClN2O2/c1-12(2,3)11-14-9(13)8-7(10(16)17)5-4-6-15(8)11/h7H,4-6H2,1-3H3,(H,16,17)
• InChIKey: QYBQNKMWILZGFZ-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 55.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.73
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?

The IUPAC name of 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid (CID 117249922) is 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid.

What is the SMILES notation for 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?

The canonical SMILES for 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is CC(C)(C)c1nc(Cl)c2n1CCCC2C(=O)O.

What is the InChIKey of 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?

The InChIKey is QYBQNKMWILZGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-12(2,3)11-14-9(13)8-7(10(16)17)5-4-6-15(8)11/h7H,4-6H2,1-3H3,(H,16,17).

What are the key properties of 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid?

3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 256.73 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117249922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).