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

C21H11F4N3 — CID 10474944

IUPAC5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
SMILESFc1cnc(-c2cc(-c3cnnc(-c4ccccc4F)c3)ccc2F)c(F)c1
InChIInChI=1S/C21H11F4N3/c22-14-9-19(25)21(26-11-14)16-7-12(5-6-18(16)24)13-8-20(28-27-10-13)15-3-1-2-4-17(15)23/h1-11H
InChIKeyCMRJVDJLBFKXKL-UHFFFAOYSA-N
MW381.33 g/mol
LogP5.43
Rot. Bonds3

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

5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine (PubChem CID 10474944) has the molecular formula C21H11F4N3 and a molecular weight of 381.33 g/mol. Its IUPAC name is 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine.

Molecular Properties

Compound Name5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
PubChem CID10474944
Molecular FormulaC21H11F4N3
Molecular Weight381.33 g/mol
Exact Mass381.09
IUPAC Name5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine
SMILESFc1cnc(-c2cc(-c3cnnc(-c4ccccc4F)c3)ccc2F)c(F)c1
InChIInChI=1S/C21H11F4N3/c22-14-9-19(25)21(26-11-14)16-7-12(5-6-18(16)24)13-8-20(28-27-10-13)15-3-1-2-4-17(15)23/h1-11H
InChIKeyCMRJVDJLBFKXKL-UHFFFAOYSA-N
XLogP5.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.33
LogP ≤ 55.43
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-fluorophenyl)pyridazine?
The IUPAC name of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine (CID 10474944) is 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine.
What is the SMILES notation for 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine?
The canonical SMILES for 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine is Fc1cnc(-c2cc(-c3cnnc(-c4ccccc4F)c3)ccc2F)c(F)c1.
What is the InChIKey of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine?
The InChIKey is CMRJVDJLBFKXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F4N3/c22-14-9-19(25)21(26-11-14)16-7-12(5-6-18(16)24)13-8-20(28-27-10-13)15-3-1-2-4-17(15)23/h1-11H.
What are the key properties of 5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine?
5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]-3-(2-fluorophenyl)pyridazine has a molecular weight of 381.33 g/mol, XLogP of 5.43, 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-fluorophenyl)pyridazine is sourced from PubChem (CID 10474944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).