2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol

C13H11N3O2 — CID 136756257

IUPAC2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol
SMILESCn1c(-c2cc(O)ccc2O)nc2ncccc21
InChIInChI=1S/C13H11N3O2/c1-16-10-3-2-6-14-12(10)15-13(16)9-7-8(17)4-5-11(9)18/h2-7,17-18H,1H3
InChIKeyXTUXUAGHWSNHBS-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.05
Rot. Bonds1

About 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol

2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol (PubChem CID 136756257) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol
PubChem CID136756257
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol
SMILESCn1c(-c2cc(O)ccc2O)nc2ncccc21
InChIInChI=1S/C13H11N3O2/c1-16-10-3-2-6-14-12(10)15-13(16)9-7-8(17)4-5-11(9)18/h2-7,17-18H,1H3
InChIKeyXTUXUAGHWSNHBS-UHFFFAOYSA-N
XLogP2.05
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol 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

3-methyl-4-(1-methylimidazo[4,5-b]pyridin-2-yl)phenol
CID 137004995
2-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,4-diol
CID 136903815
4-(1-methylimidazo[4,5-b]pyridin-2-yl)aniline
CID 114113127
4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-2-yl)phenol
CID 137010368
5-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-dicarbonitrile
CID 167882024
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[2-(1-methylimidazo[4,5-b]pyridin-2-yl)phenyl]ethane-1,2-diamine
CID 18621426
4-methyl-5-(1-methylimidazo[4,5-b]pyridin-2-yl)-1,3-thiazol-2-amine
CID 114113082
1-methyl-2-(5-methylsulfonylfuran-2-yl)imidazo[4,5-b]pyridine
CID 167946530
4-tert-butyl-2-[4-[3-(6-tert-butylquinolin-8-yl)benzene-2-id-1-yl]-1-methylbenzimidazol-2-yl]phenol;platinum
CID 177110751
N'-hydroxy-1-methylimidazo[4,5-b]pyridine-2-carboximidamide
CID 135456631
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)benzene-1,4-diol
CID 136927565

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol?
The IUPAC name of 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol (CID 136756257) is 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol?
The canonical SMILES for 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol is Cn1c(-c2cc(O)ccc2O)nc2ncccc21.
What is the InChIKey of 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol?
The InChIKey is XTUXUAGHWSNHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-16-10-3-2-6-14-12(10)15-13(16)9-7-8(17)4-5-11(9)18/h2-7,17-18H,1H3.
What are the key properties of 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol?
2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol has a molecular weight of 241.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazo[4,5-b]pyridin-2-yl)benzene-1,4-diol is sourced from PubChem (CID 136756257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).