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

C20H9F5N4 — CID 11682766

IUPAC3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine
SMILESFc1cnc(-c2cc(-c3cnnc(-c4c(F)cncc4F)c3)ccc2F)c(F)c1
InChIInChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H
InChIKeyDNSPBVIIBSAYPW-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.96
Rot. Bonds3

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

3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine (PubChem CID 11682766) has the molecular formula C20H9F5N4 and a molecular weight of 400.31 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine.

Molecular Properties

Compound Name3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine
PubChem CID11682766
Molecular FormulaC20H9F5N4
Molecular Weight400.31 g/mol
Exact Mass400.07
IUPAC Name3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine
SMILESFc1cnc(-c2cc(-c3cnnc(-c4c(F)cncc4F)c3)ccc2F)c(F)c1
InChIInChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H
InChIKeyDNSPBVIIBSAYPW-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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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
The IUPAC name of 3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine (CID 11682766) is 3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine.
What is the SMILES notation for 3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
The canonical SMILES for 3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine is Fc1cnc(-c2cc(-c3cnnc(-c4c(F)cncc4F)c3)ccc2F)c(F)c1.
What is the InChIKey of 3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
The InChIKey is DNSPBVIIBSAYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H.
What are the key properties of 3-(3,5-difluoro-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine?
3-(3,5-difluoro-4-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-4-pyridinyl)-5-[3-(3,5-difluoro-2-pyridinyl)-4-fluorophenyl]pyridazine is sourced from PubChem (CID 11682766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).