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

C8H4ClN3O — CID 166108958

IUPAC4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(c1Cl)CC(=O)N2
InChIInChI=1S/C8H4ClN3O/c9-7-4(2-10)3-11-8-5(7)1-6(13)12-8/h3H,1H2,(H,11,12,13)
InChIKeyUDJOYMLHXYZFOE-UHFFFAOYSA-N
MW193.59 g/mol
LogP1.10
Rot. Bonds

About 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile

4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 166108958) has the molecular formula C8H4ClN3O and a molecular weight of 193.59 g/mol. Its IUPAC name is 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID166108958
Molecular FormulaC8H4ClN3O
Molecular Weight193.59 g/mol
Exact Mass193.00
IUPAC Name4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(c1Cl)CC(=O)N2
InChIInChI=1S/C8H4ClN3O/c9-7-4(2-10)3-11-8-5(7)1-6(13)12-8/h3H,1H2,(H,11,12,13)
InChIKeyUDJOYMLHXYZFOE-UHFFFAOYSA-N
XLogP1.10
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.59
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-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 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (CID 166108958) is 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2c(c1Cl)CC(=O)N2.
What is the InChIKey of 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is UDJOYMLHXYZFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN3O/c9-7-4(2-10)3-11-8-5(7)1-6(13)12-8/h3H,1H2,(H,11,12,13).
What are the key properties of 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 193.59 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 166108958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).