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

C20H9F5N4 — CID 11582101

IUPAC3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine
SMILESFc1cnc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1
InChIInChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H
InChIKeyPYXJKYJAFMLYMS-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.96
Rot. Bonds3

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

3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine (PubChem CID 11582101) has the molecular formula C20H9F5N4 and a molecular weight of 400.31 g/mol. Its IUPAC name is 3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine.

Molecular Properties

Compound Name3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine
PubChem CID11582101
Molecular FormulaC20H9F5N4
Molecular Weight400.31 g/mol
Exact Mass400.07
IUPAC Name3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine
SMILESFc1cnc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1
InChIInChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H
InChIKeyPYXJKYJAFMLYMS-UHFFFAOYSA-N
XLogP4.96
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 80259
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CID 9814925
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CID 9857146
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CID 9858084
CID 9858084
CID 9944397
CID 9944397
CID 10384086
CID 10384086
CID 10474944
CID 10474944
CID 11530663
CID 11530663
CID 11632351
CID 11632351
CID 11646612
CID 11646612
CID 11646630
CID 11646630

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
The IUPAC name of 3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine (CID 11582101) is 3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine.
What is the SMILES notation for 3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
The canonical SMILES for 3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine is Fc1cnc(-c2cc(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnn2)c(F)c1.
What is the InChIKey of 3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
The InChIKey is PYXJKYJAFMLYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H.
What are the key properties of 3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
3-(3,5-difluoro-2-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine has a molecular weight of 400.31 g/mol, XLogP of 4.96, 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-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine is sourced from PubChem (CID 11582101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).