2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile

C8H5N3O — CID 66570659

IUPAC2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(c1)CC(=O)N2
InChIInChI=1S/C8H5N3O/c9-3-5-1-6-2-7(12)11-8(6)10-4-5/h1,4H,2H2,(H,10,11,12)
InChIKeyJYTNXNRPQFUGOF-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.45
Rot. Bonds

About 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile

2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 66570659) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID66570659
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(c1)CC(=O)N2
InChIInChI=1S/C8H5N3O/c9-3-5-1-6-2-7(12)11-8(6)10-4-5/h1,4H,2H2,(H,10,11,12)
InChIKeyJYTNXNRPQFUGOF-UHFFFAOYSA-N
XLogP0.45
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile 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 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (CID 66570659) is 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2c(c1)CC(=O)N2.
What is the InChIKey of 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is JYTNXNRPQFUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c9-3-5-1-6-2-7(12)11-8(6)10-4-5/h1,4H,2H2,(H,10,11,12).
What are the key properties of 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 66570659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).