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

C20H10F4N4 — CID 11610634

IUPAC5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine
SMILESFc1cnc(-c2cc(-c3cnnc(-c4ccncc4F)c3)ccc2F)c(F)c1
InChIInChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H
InChIKeyIBIAGNJTCFFVTB-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.82
Rot. Bonds3

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

5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine (PubChem CID 11610634) has the molecular formula C20H10F4N4 and a molecular weight of 382.32 g/mol. Its IUPAC name is 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine.

Molecular Properties

Compound Name5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine
PubChem CID11610634
Molecular FormulaC20H10F4N4
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC Name5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine
SMILESFc1cnc(-c2cc(-c3cnnc(-c4ccncc4F)c3)ccc2F)c(F)c1
InChIInChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H
InChIKeyIBIAGNJTCFFVTB-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 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine?
The IUPAC name of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine (CID 11610634) is 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine.
What is the SMILES notation for 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine?
The canonical SMILES for 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine is Fc1cnc(-c2cc(-c3cnnc(-c4ccncc4F)c3)ccc2F)c(F)c1.
What is the InChIKey of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine?
The InChIKey is IBIAGNJTCFFVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H.
What are the key properties of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine?
5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)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 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(3-fluoro-4-pyridinyl)pyridazine is sourced from PubChem (CID 11610634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).