3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile

C16H11N3 — CID 10131083

IUPAC3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccn(-c3ccccn3)c2)c1
InChIInChI=1S/C16H11N3/c17-11-13-4-3-5-14(10-13)15-7-9-19(12-15)16-6-1-2-8-18-16/h1-10,12H
InChIKeyGXXRNNGNWUNPKZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.41
Rot. Bonds2

About 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile

3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile (PubChem CID 10131083) has the molecular formula C16H11N3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile
PubChem CID10131083
Molecular FormulaC16H11N3
Molecular Weight245.28 g/mol
Exact Mass245.10
IUPAC Name3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccn(-c3ccccn3)c2)c1
InChIInChI=1S/C16H11N3/c17-11-13-4-3-5-14(10-13)15-7-9-19(12-15)16-6-1-2-8-18-16/h1-10,12H
InChIKeyGXXRNNGNWUNPKZ-UHFFFAOYSA-N
XLogP3.41
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile?
The IUPAC name of 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile (CID 10131083) is 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile.
What is the SMILES notation for 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile?
The canonical SMILES for 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile is N#Cc1cccc(-c2ccn(-c3ccccn3)c2)c1.
What is the InChIKey of 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile?
The InChIKey is GXXRNNGNWUNPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3/c17-11-13-4-3-5-14(10-13)15-7-9-19(12-15)16-6-1-2-8-18-16/h1-10,12H.
What are the key properties of 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile?
3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile has a molecular weight of 245.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-2-ylpyrrol-3-yl)benzonitrile is sourced from PubChem (CID 10131083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).