2,5-dipyridin-3-ylbenzonitrile

C17H11N3 — CID 46316425

IUPAC2,5-dipyridin-3-ylbenzonitrile
SMILESN#Cc1cc(-c2cccnc2)ccc1-c1cccnc1
InChIInChI=1S/C17H11N3/c18-10-16-9-13(14-3-1-7-19-11-14)5-6-17(16)15-4-2-8-20-12-15/h1-9,11-12H
InChIKeyJPQHRELRROMUHV-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.68
Rot. Bonds2

About 2,5-dipyridin-3-ylbenzonitrile

2,5-dipyridin-3-ylbenzonitrile (PubChem CID 46316425) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2,5-dipyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name2,5-dipyridin-3-ylbenzonitrile
PubChem CID46316425
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2,5-dipyridin-3-ylbenzonitrile
SMILESN#Cc1cc(-c2cccnc2)ccc1-c1cccnc1
InChIInChI=1S/C17H11N3/c18-10-16-9-13(14-3-1-7-19-11-14)5-6-17(16)15-4-2-8-20-12-15/h1-9,11-12H
InChIKeyJPQHRELRROMUHV-UHFFFAOYSA-N
XLogP3.68
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558
2-phenyl-5-[6-phenyl-2-[4-(4-pyridin-3-ylphenyl)phenyl]benzotriazol-4-yl]benzonitrile
CID 175193975
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
2,4-dipyridin-3-ylaniline
CID 46316358
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridin-3-ylphenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166785159
2,6-difluoro-3-pyridin-3-ylbenzonitrile
CID 58731401
3-azulen-6-ylpyridine
CID 86232079
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
9-[5-cyano-2-(3,6-dicyanocarbazol-9-yl)-4-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 166785139
3-bromopyridine;(4-cyano-3-fluorophenyl)boronic acid;2-fluoro-4-pyridin-3-ylbenzonitrile
CID 160704289
3-[3-[3-phenyl-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 126704951
3-[4-[2,4-bis(4-phenylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67990643

Frequently Asked Questions

What is the IUPAC name of 2,5-dipyridin-3-ylbenzonitrile?
The IUPAC name of 2,5-dipyridin-3-ylbenzonitrile (CID 46316425) is 2,5-dipyridin-3-ylbenzonitrile.
What is the SMILES notation for 2,5-dipyridin-3-ylbenzonitrile?
The canonical SMILES for 2,5-dipyridin-3-ylbenzonitrile is N#Cc1cc(-c2cccnc2)ccc1-c1cccnc1.
What is the InChIKey of 2,5-dipyridin-3-ylbenzonitrile?
The InChIKey is JPQHRELRROMUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c18-10-16-9-13(14-3-1-7-19-11-14)5-6-17(16)15-4-2-8-20-12-15/h1-9,11-12H.
What are the key properties of 2,5-dipyridin-3-ylbenzonitrile?
2,5-dipyridin-3-ylbenzonitrile has a molecular weight of 257.30 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipyridin-3-ylbenzonitrile is sourced from PubChem (CID 46316425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).