2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile

C22H14N4 — CID 10382230

IUPAC2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cnnc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H14N4/c23-14-17-9-4-5-10-19(17)21-12-6-11-20(25-21)18-13-22(26-24-15-18)16-7-2-1-3-8-16/h1-13,15H
InChIKeyBGFMJMSJGJEBOR-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.74
Rot. Bonds3

About 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile

2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile (PubChem CID 10382230) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile
PubChem CID10382230
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2cnnc(-c3ccccc3)c2)n1
InChIInChI=1S/C22H14N4/c23-14-17-9-4-5-10-19(17)21-12-6-11-20(25-21)18-13-22(26-24-15-18)16-7-2-1-3-8-16/h1-13,15H
InChIKeyBGFMJMSJGJEBOR-UHFFFAOYSA-N
XLogP4.74
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
2-[6-phenyl-2-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 168836971
2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 170215173
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
5-phenyl-3-[6-[6-(5-phenyl-1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
CID 146551238
2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile
CID 90976447
2-(2,6-diphenylbenzo[h]quinolin-4-yl)benzonitrile
CID 70958757
2-phenylbenzonitrile;urea
CID 162064762
2-[3-[4-[4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174314829
2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 168837004
4-amino-2-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzonitrile
CID 118297472
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 141329081

Frequently Asked Questions

What is the IUPAC name of 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile?
The IUPAC name of 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile (CID 10382230) is 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile is N#Cc1ccccc1-c1cccc(-c2cnnc(-c3ccccc3)c2)n1.
What is the InChIKey of 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile?
The InChIKey is BGFMJMSJGJEBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4/c23-14-17-9-4-5-10-19(17)21-12-6-11-20(25-21)18-13-22(26-24-15-18)16-7-2-1-3-8-16/h1-13,15H.
What are the key properties of 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile?
2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile has a molecular weight of 334.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 10382230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).