6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione

C16H10N2O3 — CID 60999080

IUPAC6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccccc1C#CCO
InChIInChI=1S/C16H10N2O3/c19-10-4-6-11-5-1-2-8-13(11)18-15(20)12-7-3-9-17-14(12)16(18)21/h1-3,5,7-9,19H,10H2
InChIKeyADFHPGYBABSFJD-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.23
Rot. Bonds1

About 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 60999080) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID60999080
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1c1ccccc1C#CCO
InChIInChI=1S/C16H10N2O3/c19-10-4-6-11-5-1-2-8-13(11)18-15(20)12-7-3-9-17-14(12)16(18)21/h1-3,5,7-9,19H,10H2
InChIKeyADFHPGYBABSFJD-UHFFFAOYSA-N
XLogP1.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione 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 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 60999080) is 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1c1ccccc1C#CCO.
What is the InChIKey of 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is ADFHPGYBABSFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c19-10-4-6-11-5-1-2-8-13(11)18-15(20)12-7-3-9-17-14(12)16(18)21/h1-3,5,7-9,19H,10H2.
What are the key properties of 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 278.27 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-hydroxyprop-1-ynyl)phenyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 60999080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).