3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile

C13H11N3 — CID 167313165

IUPAC3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile
SMILESN#CC12CC(n3ccc4ncccc43)(C1)C2
InChIInChI=1S/C13H11N3/c14-9-12-6-13(7-12,8-12)16-5-3-10-11(16)2-1-4-15-10/h1-5H,6-8H2
InChIKeyXHDWJMPDEGWEOH-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.44
Rot. Bonds1

About 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile

3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile (PubChem CID 167313165) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile.

Molecular Properties

Compound Name3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile
PubChem CID167313165
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile
SMILESN#CC12CC(n3ccc4ncccc43)(C1)C2
InChIInChI=1S/C13H11N3/c14-9-12-6-13(7-12,8-12)16-5-3-10-11(16)2-1-4-15-10/h1-5H,6-8H2
InChIKeyXHDWJMPDEGWEOH-UHFFFAOYSA-N
XLogP2.44
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile?
The IUPAC name of 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile (CID 167313165) is 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile.
What is the SMILES notation for 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile?
The canonical SMILES for 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile is N#CC12CC(n3ccc4ncccc43)(C1)C2.
What is the InChIKey of 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile?
The InChIKey is XHDWJMPDEGWEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-9-12-6-13(7-12,8-12)16-5-3-10-11(16)2-1-4-15-10/h1-5H,6-8H2.
What are the key properties of 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile?
3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolo[3,2-b]pyridin-1-ylbicyclo[1.1.1]pentane-1-carbonitrile is sourced from PubChem (CID 167313165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).