4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile

C17H10FN3 — CID 11587176

IUPAC4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnnc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C17H10FN3/c18-16-7-5-14(6-8-16)17-9-15(11-20-21-17)13-3-1-12(10-19)2-4-13/h1-9,11H
InChIKeyILXJASDZVAIJPB-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.82
Rot. Bonds2

About 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile

4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile (PubChem CID 11587176) has the molecular formula C17H10FN3 and a molecular weight of 275.29 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile
PubChem CID11587176
Molecular FormulaC17H10FN3
Molecular Weight275.29 g/mol
Exact Mass275.09
IUPAC Name4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnnc(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C17H10FN3/c18-16-7-5-14(6-8-16)17-9-15(11-20-21-17)13-3-1-12(10-19)2-4-13/h1-9,11H
InChIKeyILXJASDZVAIJPB-UHFFFAOYSA-N
XLogP3.82
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(4-fluorophenyl)pyridazine
CID 11277172
2,6-bis(4-fluorophenyl)pyridine-4-carbonitrile
CID 46313546
6-(4-methoxyphenyl)pyridazine-4-carbonitrile
CID 13434104
N,N-bis[4-(4-fluorophenyl)phenyl]-4-(4-phenylphenyl)aniline;4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]benzonitrile
CID 158714904
4-[2-[5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]benzonitrile;2-[4-[4-[6-[4-(4-fluorophenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165082365
5-(4-fluorophenyl)pyrimidine-2-carbonitrile
CID 608076
4-(2-fluorophenyl)benzonitrile;4-(4-fluorophenyl)benzonitrile;4-phenylbenzonitrile
CID 157446413
4-[4-[(4-fluorophenyl)methoxy]phenyl]benzonitrile
CID 7670853
3-(4-fluorophenyl)-5-hydroxybenzonitrile
CID 53219839
5-(4-fluorophenyl)pyrazine-2-carbonitrile
CID 69058774
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
4-(5-methyl-1H-pyrrol-3-yl)benzonitrile
CID 59765545

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile?
The IUPAC name of 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile (CID 11587176) is 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile.
What is the SMILES notation for 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile?
The canonical SMILES for 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile is N#Cc1ccc(-c2cnnc(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile?
The InChIKey is ILXJASDZVAIJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3/c18-16-7-5-14(6-8-16)17-9-15(11-20-21-17)13-3-1-12(10-19)2-4-13/h1-9,11H.
What are the key properties of 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile?
4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile has a molecular weight of 275.29 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile is sourced from PubChem (CID 11587176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).