2-(6-phenylpyridazin-4-yl)benzonitrile

C17H11N3 — CID 11586937

IUPAC2-(6-phenylpyridazin-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cnnc(-c2ccccc2)c1
InChIInChI=1S/C17H11N3/c18-11-14-8-4-5-9-16(14)15-10-17(20-19-12-15)13-6-2-1-3-7-13/h1-10,12H
InChIKeyARJNDUZQSPLLTL-UHFFFAOYSA-N
MW257.30 g/mol
LogP3.68
Rot. Bonds2

About 2-(6-phenylpyridazin-4-yl)benzonitrile

2-(6-phenylpyridazin-4-yl)benzonitrile (PubChem CID 11586937) has the molecular formula C17H11N3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(6-phenylpyridazin-4-yl)benzonitrile.

Molecular Properties

Compound Name2-(6-phenylpyridazin-4-yl)benzonitrile
PubChem CID11586937
Molecular FormulaC17H11N3
Molecular Weight257.30 g/mol
Exact Mass257.10
IUPAC Name2-(6-phenylpyridazin-4-yl)benzonitrile
SMILESN#Cc1ccccc1-c1cnnc(-c2ccccc2)c1
InChIInChI=1S/C17H11N3/c18-11-14-8-4-5-9-16(14)15-10-17(20-19-12-15)13-6-2-1-3-7-13/h1-10,12H
InChIKeyARJNDUZQSPLLTL-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-(2-Phenylethenyl)cinnoline
CID 22797
3-Phenylpyridazine
CID 193499
4-Phenylcinnoline
CID 609867
3-Methyl-5-phenylpyridazine
CID 2736934
3-[6-(3,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10379616
3-(6-Phenyl-pyridazin-4-yl)-benzonitrile
CID 10400221
3-[6-(3-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401160
3-[6-(2-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401161
3-[6-(4-Fluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10401162
3-[6-(2,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10424461
3,5-Diphenylpyridazine
CID 10443943
5-(3-Bromo-phenyl)-3-phenyl-pyridazine
CID 10470683

Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylpyridazin-4-yl)benzonitrile?
The IUPAC name of 2-(6-phenylpyridazin-4-yl)benzonitrile (CID 11586937) is 2-(6-phenylpyridazin-4-yl)benzonitrile.
What is the SMILES notation for 2-(6-phenylpyridazin-4-yl)benzonitrile?
The canonical SMILES for 2-(6-phenylpyridazin-4-yl)benzonitrile is N#Cc1ccccc1-c1cnnc(-c2ccccc2)c1.
What is the InChIKey of 2-(6-phenylpyridazin-4-yl)benzonitrile?
The InChIKey is ARJNDUZQSPLLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3/c18-11-14-8-4-5-9-16(14)15-10-17(20-19-12-15)13-6-2-1-3-7-13/h1-10,12H.
What are the key properties of 2-(6-phenylpyridazin-4-yl)benzonitrile?
2-(6-phenylpyridazin-4-yl)benzonitrile 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-(6-phenylpyridazin-4-yl)benzonitrile is sourced from PubChem (CID 11586937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).