3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile

C17H10FN3 — CID 10401162

IUPAC3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnnc(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C17H10FN3/c18-16-6-4-13(5-7-16)17-9-15(11-20-21-17)14-3-1-2-12(8-14)10-19/h1-9,11H
InChIKeyJVBQCYDCVICGTQ-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.82
Rot. Bonds2

About 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile

3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile (PubChem CID 10401162) has the molecular formula C17H10FN3 and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile
PubChem CID10401162
Molecular FormulaC17H10FN3
Molecular Weight275.29 g/mol
Exact Mass275.09
IUPAC Name3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnnc(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C17H10FN3/c18-16-6-4-13(5-7-16)17-9-15(11-20-21-17)14-3-1-2-12(8-14)10-19/h1-9,11H
InChIKeyJVBQCYDCVICGTQ-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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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile?
The IUPAC name of 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile (CID 10401162) is 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile.
What is the SMILES notation for 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile?
The canonical SMILES for 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile is N#Cc1cccc(-c2cnnc(-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile?
The InChIKey is JVBQCYDCVICGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3/c18-16-6-4-13(5-7-16)17-9-15(11-20-21-17)14-3-1-2-12(8-14)10-19/h1-9,11H.
What are the key properties of 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile?
3-[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 3-[6-(4-fluorophenyl)pyridazin-4-yl]benzonitrile is sourced from PubChem (CID 10401162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).