2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile

C15H11N3 — CID 133094241

IUPAC2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile
SMILESN#CCc1cc2cc[nH]c2nc1-c1ccccc1
InChIInChI=1S/C15H11N3/c16-8-6-12-10-13-7-9-17-15(13)18-14(12)11-4-2-1-3-5-11/h1-5,7,9-10H,6H2,(H,17,18)
InChIKeyQFEFZTZBZUOEPX-UHFFFAOYSA-N
MW233.27 g/mol
LogP3.30
Rot. Bonds2

About 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile

2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile (PubChem CID 133094241) has the molecular formula C15H11N3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile
PubChem CID133094241
Molecular FormulaC15H11N3
Molecular Weight233.27 g/mol
Exact Mass233.10
IUPAC Name2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile
SMILESN#CCc1cc2cc[nH]c2nc1-c1ccccc1
InChIInChI=1S/C15H11N3/c16-8-6-12-10-13-7-9-17-15(13)18-14(12)11-4-2-1-3-5-11/h1-5,7,9-10H,6H2,(H,17,18)
InChIKeyQFEFZTZBZUOEPX-UHFFFAOYSA-N
XLogP3.30
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile?
The IUPAC name of 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile (CID 133094241) is 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile.
What is the SMILES notation for 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile?
The canonical SMILES for 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile is N#CCc1cc2cc[nH]c2nc1-c1ccccc1.
What is the InChIKey of 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile?
The InChIKey is QFEFZTZBZUOEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3/c16-8-6-12-10-13-7-9-17-15(13)18-14(12)11-4-2-1-3-5-11/h1-5,7,9-10H,6H2,(H,17,18).
What are the key properties of 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile?
2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile has a molecular weight of 233.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetonitrile is sourced from PubChem (CID 133094241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).