4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium

C15H9ClN3+ — CID 57110541

IUPAC4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium
SMILESN#Cc1ccc(Cl)cc1C=Cc1ccc([N+]#N)cc1
InChIInChI=1S/C15H9ClN3/c16-14-6-5-13(10-17)12(9-14)4-1-11-2-7-15(19-18)8-3-11/h1-9H/q+1
InChIKeyNJBMZMAQZVSUTE-UHFFFAOYSA-N
MW266.71 g/mol
LogP4.87
Rot. Bonds2

About 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium

4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium (PubChem CID 57110541) has the molecular formula C15H9ClN3+ and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium.

Molecular Properties

Compound Name4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium
PubChem CID57110541
Molecular FormulaC15H9ClN3+
Molecular Weight266.71 g/mol
Exact Mass266.05
IUPAC Name4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium
SMILESN#Cc1ccc(Cl)cc1C=Cc1ccc([N+]#N)cc1
InChIInChI=1S/C15H9ClN3/c16-14-6-5-13(10-17)12(9-14)4-1-11-2-7-15(19-18)8-3-11/h1-9H/q+1
InChIKeyNJBMZMAQZVSUTE-UHFFFAOYSA-N
XLogP4.87
TPSA51.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-2-(4-chlorophenyl)ethenyl]-4-cyanobenzamide
CID 23141418
5-amino-2-[2-(4-chlorophenyl)ethenyl]benzonitrile
CID 154087264
4-chloro-2-(4-sulfanylbut-1-enyl)benzonitrile
CID 170478332
2-(4-azidobut-1-enyl)-4-chlorobenzonitrile
CID 170485285
5-chloro-2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]benzonitrile
CID 89437028
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]benzenediazonium
CID 18996875
(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-3-phenylprop-2-enenitrile
CID 135071522
2,4-dichloro-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6024519
2,5-bis[2-[4-[bis(2-chloroethyl)amino]phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 141414589
2,5-bis[2-[4-(N-phenylanilino)phenyl]ethenyl]benzene-1,4-dicarbonitrile
CID 57074916
2,4-bis[(E)-2-phenylethenyl]benzene-1,3-dicarbonitrile
CID 22725864
5-chloro-2-(3-sulfanylprop-1-enyl)benzonitrile
CID 169455166

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium?
The IUPAC name of 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium (CID 57110541) is 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium.
What is the SMILES notation for 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium?
The canonical SMILES for 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium is N#Cc1ccc(Cl)cc1C=Cc1ccc([N+]#N)cc1.
What is the InChIKey of 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium?
The InChIKey is NJBMZMAQZVSUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN3/c16-14-6-5-13(10-17)12(9-14)4-1-11-2-7-15(19-18)8-3-11/h1-9H/q+1.
What are the key properties of 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium?
4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium has a molecular weight of 266.71 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2-cyanophenyl)ethenyl]benzenediazonium is sourced from PubChem (CID 57110541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).