4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile

C16H11N3 — CID 76663347

IUPAC4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(C=Cc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C16H11N3/c17-10-13-5-3-12(4-6-13)7-8-14-11-19-16-15(14)2-1-9-18-16/h1-9,11H,(H,18,19)
InChIKeyNEVIWKGPLDRCAF-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.60
Rot. Bonds2

About 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile

4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile (PubChem CID 76663347) has the molecular formula C16H11N3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile
PubChem CID76663347
Molecular FormulaC16H11N3
Molecular Weight245.28 g/mol
Exact Mass245.10
IUPAC Name4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(C=Cc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C16H11N3/c17-10-13-5-3-12(4-6-13)7-8-14-11-19-16-15(14)2-1-9-18-16/h1-9,11H,(H,18,19)
InChIKeyNEVIWKGPLDRCAF-UHFFFAOYSA-N
XLogP3.60
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile (CID 76663347) is 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile is N#Cc1ccc(C=Cc2c[nH]c3ncccc23)cc1.
What is the InChIKey of 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile?
The InChIKey is NEVIWKGPLDRCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c17-10-13-5-3-12(4-6-13)7-8-14-11-19-16-15(14)2-1-9-18-16/h1-9,11H,(H,18,19).
What are the key properties of 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile?
4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile has a molecular weight of 245.28 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile is sourced from PubChem (CID 76663347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).