4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol

C19H14N2O2 — CID 72792829

IUPAC4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1O
InChIInChI=1S/C19H14N2O2/c22-17-7-6-13(9-18(17)23)14-8-15-16(11-21-19(15)20-10-14)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,21)
InChIKeyOVGOMELIPUOQHV-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.31
Rot. Bonds2

About 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol

4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol (PubChem CID 72792829) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol
PubChem CID72792829
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1O
InChIInChI=1S/C19H14N2O2/c22-17-7-6-13(9-18(17)23)14-8-15-16(11-21-19(15)20-10-14)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,21)
InChIKeyOVGOMELIPUOQHV-UHFFFAOYSA-N
XLogP4.31
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-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

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol?
The IUPAC name of 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol (CID 72792829) is 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol?
The canonical SMILES for 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol is Oc1ccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)cc1O.
What is the InChIKey of 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol?
The InChIKey is OVGOMELIPUOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-17-7-6-13(9-18(17)23)14-8-15-16(11-21-19(15)20-10-14)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,21).
What are the key properties of 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol?
4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol has a molecular weight of 302.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol is sourced from PubChem (CID 72792829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).