3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile

C17H9F2N3 — CID 10379616

IUPAC3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnnc(-c3ccc(F)c(F)c3)c2)c1
InChIInChI=1S/C17H9F2N3/c18-15-5-4-13(7-16(15)19)17-8-14(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H
InChIKeyBKJDICAMUYQJHV-UHFFFAOYSA-N
MW293.28 g/mol
LogP3.96
Rot. Bonds2

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

3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile (PubChem CID 10379616) has the molecular formula C17H9F2N3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile
PubChem CID10379616
Molecular FormulaC17H9F2N3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile
SMILESN#Cc1cccc(-c2cnnc(-c3ccc(F)c(F)c3)c2)c1
InChIInChI=1S/C17H9F2N3/c18-15-5-4-13(7-16(15)19)17-8-14(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H
InChIKeyBKJDICAMUYQJHV-UHFFFAOYSA-N
XLogP3.96
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile?
The IUPAC name of 3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile (CID 10379616) is 3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile.
What is the SMILES notation for 3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile?
The canonical SMILES for 3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile is N#Cc1cccc(-c2cnnc(-c3ccc(F)c(F)c3)c2)c1.
What is the InChIKey of 3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile?
The InChIKey is BKJDICAMUYQJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3/c18-15-5-4-13(7-16(15)19)17-8-14(10-21-22-17)12-3-1-2-11(6-12)9-20/h1-8,10H.
What are the key properties of 3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile?
3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile has a molecular weight of 293.28 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,4-difluorophenyl)pyridazin-4-yl]benzonitrile is sourced from PubChem (CID 10379616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).