5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine

C21H9F6N3 — CID 11704396

IUPAC5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine
SMILESFc1cnc(-c2cc(-c3cnnc(-c4c(F)cc(F)cc4F)c3)ccc2F)c(F)c1
InChIInChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H
InChIKeyAHHSTGLUTRNWRJ-UHFFFAOYSA-N
MW417.31 g/mol
LogP5.71
Rot. Bonds3

About 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine

5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine (PubChem CID 11704396) has the molecular formula C21H9F6N3 and a molecular weight of 417.31 g/mol. Its IUPAC name is 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine.

Molecular Properties

Compound Name5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine
PubChem CID11704396
Molecular FormulaC21H9F6N3
Molecular Weight417.31 g/mol
Exact Mass417.07
IUPAC Name5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine
SMILESFc1cnc(-c2cc(-c3cnnc(-c4c(F)cc(F)cc4F)c3)ccc2F)c(F)c1
InChIInChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H
InChIKeyAHHSTGLUTRNWRJ-UHFFFAOYSA-N
XLogP5.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.31
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine?
The IUPAC name of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine (CID 11704396) is 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine.
What is the SMILES notation for 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine?
The canonical SMILES for 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine is Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cc(F)cc4F)c3)ccc2F)c(F)c1.
What is the InChIKey of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine?
The InChIKey is AHHSTGLUTRNWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H.
What are the key properties of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine?
5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine has a molecular weight of 417.31 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2,4,6-trifluorophenyl)pyridazine is sourced from PubChem (CID 11704396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).