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

C21H10F5N3 — CID 10318718

IUPAC3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine
SMILESFc1ccc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1
InChIInChI=1S/C21H10F5N3/c22-13-2-3-15(18(25)7-13)20-6-12(9-28-29-20)11-1-4-17(24)16(5-11)21-19(26)8-14(23)10-27-21/h1-10H
InChIKeyMMZOMTNDPGKUIA-UHFFFAOYSA-N
MW399.32 g/mol
LogP5.57
Rot. Bonds3

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

3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine (PubChem CID 10318718) has the molecular formula C21H10F5N3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine
PubChem CID10318718
Molecular FormulaC21H10F5N3
Molecular Weight399.32 g/mol
Exact Mass399.08
IUPAC Name3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine
SMILESFc1ccc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1
InChIInChI=1S/C21H10F5N3/c22-13-2-3-15(18(25)7-13)20-6-12(9-28-29-20)11-1-4-17(24)16(5-11)21-19(26)8-14(23)10-27-21/h1-10H
InChIKeyMMZOMTNDPGKUIA-UHFFFAOYSA-N
XLogP5.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
The IUPAC name of 3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine (CID 10318718) is 3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
The canonical SMILES for 3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine is Fc1ccc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1.
What is the InChIKey of 3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
The InChIKey is MMZOMTNDPGKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10F5N3/c22-13-2-3-15(18(25)7-13)20-6-12(9-28-29-20)11-1-4-17(24)16(5-11)21-19(26)8-14(23)10-27-21/h1-10H.
What are the key properties of 3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine has a molecular weight of 399.32 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine is sourced from PubChem (CID 10318718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).