3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol

C12H9N3O2 — CID 136928276

IUPAC3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
SMILESOc1cccc(-c2nc3ccncc3[nH]2)c1O
InChIInChI=1S/C12H9N3O2/c16-10-3-1-2-7(11(10)17)12-14-8-4-5-13-6-9(8)15-12/h1-6,16-17H,(H,14,15)
InChIKeyCICUNAGZWMTTGD-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.04
Rot. Bonds1

About 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol

3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol (PubChem CID 136928276) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
PubChem CID136928276
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
SMILESOc1cccc(-c2nc3ccncc3[nH]2)c1O
InChIInChI=1S/C12H9N3O2/c16-10-3-1-2-7(11(10)17)12-14-8-4-5-13-6-9(8)15-12/h1-6,16-17H,(H,14,15)
InChIKeyCICUNAGZWMTTGD-UHFFFAOYSA-N
XLogP2.04
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-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

2-(2-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine
CID 81477423
4-fluoro-2-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 137011269
2-[2-(fluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine
CID 143605442
2-(9H-fluoren-4-yl)-3H-imidazo[4,5-c]pyridine
CID 59208225
3-(5,6-difluoro-1H-benzimidazol-2-yl)benzene-1,2-diol
CID 136928229
2-(2-methoxy-3-pyridinyl)-3H-imidazo[4,5-c]pyridine
CID 63268642
N-[[4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]methylidene]hydroxylamine
CID 174548407
5-fluoro-2-hydroxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzoic acid
CID 162531071
5-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluorene-4-carboxamide
CID 91268405
2-(1H-pyrrol-2-yl)-3H-imidazo[4,5-c]pyridine
CID 137298700
4-(3H-imidazo[4,5-c]pyridin-2-yl)-5-methylthiophen-3-ol
CID 67896665
2-(1H-benzimidazol-2-yl)-6-fluorophenol
CID 168553450

Frequently Asked Questions

What is the IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol?
The IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol (CID 136928276) is 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol.
What is the SMILES notation for 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol?
The canonical SMILES for 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol is Oc1cccc(-c2nc3ccncc3[nH]2)c1O.
What is the InChIKey of 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol?
The InChIKey is CICUNAGZWMTTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-10-3-1-2-7(11(10)17)12-14-8-4-5-13-6-9(8)15-12/h1-6,16-17H,(H,14,15).
What are the key properties of 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol?
3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol has a molecular weight of 227.22 g/mol, XLogP of 2.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol is sourced from PubChem (CID 136928276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).