6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile

C8H5N3O — CID 118939062

IUPAC6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2cc[nH]c2[nH]c1=O
InChIInChI=1S/C8H5N3O/c9-4-6-3-5-1-2-10-7(5)11-8(6)12/h1-3H,(H2,10,11,12)
InChIKeyUHGLSOORDSRGTE-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.73
Rot. Bonds

About 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile

6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 118939062) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID118939062
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cc2cc[nH]c2[nH]c1=O
InChIInChI=1S/C8H5N3O/c9-4-6-3-5-1-2-10-7(5)11-8(6)12/h1-3H,(H2,10,11,12)
InChIKeyUHGLSOORDSRGTE-UHFFFAOYSA-N
XLogP0.73
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
CID 82410886
6-fluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 22690302
2-oxo-1H-quinoline-3-carbonitrile;tribromoborane
CID 175799807
7,8-difluoro-2-oxo-1H-quinoline-3-carbonitrile
CID 165460779
9-chloro-1-oxo-2H-benzo[h]isoquinoline-6-carbonitrile
CID 15981968
9-bromo-1-oxo-2H-benzo[h]isoquinoline-6-carbonitrile
CID 15981966
6,8-dibromo-2-oxo-1H-quinoline-3-carbonitrile
CID 125424664
6,7-difluoro-1H-indole-5-carbonitrile
CID 118989891
5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 45480261
2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 131842504
8-oxo-9H-[1,3]thiazolo[5,4-h]quinoline-7-carbonitrile
CID 69373032
1-oxo-9-(1H-pyrrol-2-yl)-2H-benzo[h]isoquinoline-6-carbonitrile
CID 15981970

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile (CID 118939062) is 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1cc2cc[nH]c2[nH]c1=O.
What is the InChIKey of 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is UHGLSOORDSRGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c9-4-6-3-5-1-2-10-7(5)11-8(6)12/h1-3H,(H2,10,11,12).
What are the key properties of 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile?
6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 159.15 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1,7-dihydropyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 118939062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).