3-Butyl-imidazo[1,5-a]pyridine-1-carboxylic acid

HCID 24948397

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCc1nc(C(=O)O)c2ccccn12
InChIKey: WZPQDUSPQRSOQM-UHFFFAOYSA-N
Molecular formula: C12H14N2O2
Average molar mass: 218.25 g/mol

Names & identifiers

Preferred name: 3-Butyl-imidazo[1,5-a]pyridine-1-carboxylic acid
IUPAC: 3-butylimidazo[1,5-a]pyridine-1-carboxylic acid

Names & synonyms

SCHEMBL3909055WZPQDUSPQRSOQM-UHFFFAOYSA-N3-butyl-imidazo[1,5-a]pyridine-1-carboxylic acid

Database identifiers

PubChem CID: 24948397

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 257

Related reactions

7 records

New reaction record

HRID 95659 reaction equation

HRID 95659As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 933799 reaction equation

HRID 933799As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1783777 reaction equation

HRID 1783777As productuspto-grants-2009_03

HRID 1783778 reaction equation

HRID 1783778As reactantuspto-grants-2009_03

HRID 1783798 reaction equation

HRID 1783798As reactantuspto-grants-2009_03

HRID 1783799 reaction equation

HRID 1783799As reactantuspto-grants-2009_03

HRID 1783800 reaction equation

HRID 1783800As reactantuspto-grants-2009_03

Compound notes

Loading…