3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine

C20H10F4N4 — CID 11646630

IUPAC3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine
SMILESFc1cnc(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)c(F)c1
InChIInChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H
InChIKeyIPBXYXQZSUGQTK-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.82
Rot. Bonds3

About 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine

3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine (PubChem CID 11646630) has the molecular formula C20H10F4N4 and a molecular weight of 382.32 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine
PubChem CID11646630
Molecular FormulaC20H10F4N4
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC Name3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine
SMILESFc1cnc(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)c(F)c1
InChIInChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H
InChIKeyIPBXYXQZSUGQTK-UHFFFAOYSA-N
XLogP4.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine?
The IUPAC name of 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine (CID 11646630) is 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine.
What is the SMILES notation for 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine?
The canonical SMILES for 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine is Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncccc4F)c3)cnn2)c(F)c1.
What is the InChIKey of 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine?
The InChIKey is IPBXYXQZSUGQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H.
What are the key properties of 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine?
3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine has a molecular weight of 382.32 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluoro-2-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine is sourced from PubChem (CID 11646630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).