6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile

C11H5BrFN3O — CID 133435042

IUPAC6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(F)c(Br)c2)nn1
InChIInChI=1S/C11H5BrFN3O/c12-9-5-8(2-3-10(9)13)17-11-4-1-7(6-14)15-16-11/h1-5H
InChIKeyWOCARZNOMZETME-UHFFFAOYSA-N
MW294.08 g/mol
LogP3.04
Rot. Bonds2

About 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile

6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile (PubChem CID 133435042) has the molecular formula C11H5BrFN3O and a molecular weight of 294.08 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile
PubChem CID133435042
Molecular FormulaC11H5BrFN3O
Molecular Weight294.08 g/mol
Exact Mass292.96
IUPAC Name6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Oc2ccc(F)c(Br)c2)nn1
InChIInChI=1S/C11H5BrFN3O/c12-9-5-8(2-3-10(9)13)17-11-4-1-7(6-14)15-16-11/h1-5H
InChIKeyWOCARZNOMZETME-UHFFFAOYSA-N
XLogP3.04
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.08
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile?
The IUPAC name of 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile (CID 133435042) is 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile is N#Cc1ccc(Oc2ccc(F)c(Br)c2)nn1.
What is the InChIKey of 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile?
The InChIKey is WOCARZNOMZETME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFN3O/c12-9-5-8(2-3-10(9)13)17-11-4-1-7(6-14)15-16-11/h1-5H.
What are the key properties of 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile?
6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile has a molecular weight of 294.08 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-4-fluorophenoxy)pyridazine-3-carbonitrile is sourced from PubChem (CID 133435042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).