6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine

C24H18F2N2O3 — CID 10159092

IUPAC6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine
SMILESCOc1ccc(-c2cc(Oc3ccc(F)c(F)c3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H18F2N2O3/c1-29-17-7-3-15(4-8-17)20-14-23(31-19-11-12-21(25)22(26)13-19)27-28-24(20)16-5-9-18(30-2)10-6-16/h3-14H,1-2H3
InChIKeyXOVNKMFNEVDUAR-UHFFFAOYSA-N
MW420.42 g/mol
LogP5.90
Rot. Bonds6

About 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine

6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine (PubChem CID 10159092) has the molecular formula C24H18F2N2O3 and a molecular weight of 420.42 g/mol. Its IUPAC name is 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine
PubChem CID10159092
Molecular FormulaC24H18F2N2O3
Molecular Weight420.42 g/mol
Exact Mass420.13
IUPAC Name6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine
SMILESCOc1ccc(-c2cc(Oc3ccc(F)c(F)c3)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H18F2N2O3/c1-29-17-7-3-15(4-8-17)20-14-23(31-19-11-12-21(25)22(26)13-19)27-28-24(20)16-5-9-18(30-2)10-6-16/h3-14H,1-2H3
InChIKeyXOVNKMFNEVDUAR-UHFFFAOYSA-N
XLogP5.90
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.42
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine?
The IUPAC name of 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine (CID 10159092) is 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine.
What is the SMILES notation for 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine?
The canonical SMILES for 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine is COc1ccc(-c2cc(Oc3ccc(F)c(F)c3)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine?
The InChIKey is XOVNKMFNEVDUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2O3/c1-29-17-7-3-15(4-8-17)20-14-23(31-19-11-12-21(25)22(26)13-19)27-28-24(20)16-5-9-18(30-2)10-6-16/h3-14H,1-2H3.
What are the key properties of 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine?
6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine has a molecular weight of 420.42 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenoxy)-3,4-bis(4-methoxyphenyl)pyridazine is sourced from PubChem (CID 10159092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).