2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C11H13N3O3 — CID 82821714

IUPAC2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(CCCCO)[nH]c2c1
InChIInChI=1S/C11H13N3O3/c15-4-2-1-3-9-13-8-5-7(11(16)17)6-12-10(8)14-9/h5-6,15H,1-4H2,(H,16,17)(H,12,13,14)
InChIKeyNDOXCZZUFKMXHD-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.97
Rot. Bonds5

About 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82821714) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82821714
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(CCCCO)[nH]c2c1
InChIInChI=1S/C11H13N3O3/c15-4-2-1-3-9-13-8-5-7(11(16)17)6-12-10(8)14-9/h5-6,15H,1-4H2,(H,16,17)(H,12,13,14)
InChIKeyNDOXCZZUFKMXHD-UHFFFAOYSA-N
XLogP0.97
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503771
2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820568
2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821711
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 83136569
2-[(3,4-dimethylphenyl)methyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796324
2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582616
2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821320
2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80503887
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821137
2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796397
[2-(3-hydroxypropyl)-3H-benzimidazol-5-yl]-phenylmethanone
CID 79204635

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82821714) is 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(CCCCO)[nH]c2c1.
What is the InChIKey of 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is NDOXCZZUFKMXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-4-2-1-3-9-13-8-5-7(11(16)17)6-12-10(8)14-9/h5-6,15H,1-4H2,(H,16,17)(H,12,13,14).
What are the key properties of 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybutyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82821714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).