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

C20H10F4N4 — CID 11717884

IUPAC3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine
SMILESFc1ccc(-c2cnnc(-c3c(F)cncc3F)c2)cc1-c1ncccc1F
InChIInChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H
InChIKeyCVOASAXXOXOGQG-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.82
Rot. Bonds3

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

3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine (PubChem CID 11717884) has the molecular formula C20H10F4N4 and a molecular weight of 382.32 g/mol. Its IUPAC name is 3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine
PubChem CID11717884
Molecular FormulaC20H10F4N4
Molecular Weight382.32 g/mol
Exact Mass382.08
IUPAC Name3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine
SMILESFc1ccc(-c2cnnc(-c3c(F)cncc3F)c2)cc1-c1ncccc1F
InChIInChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H
InChIKeyCVOASAXXOXOGQG-UHFFFAOYSA-N
XLogP4.82
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.82
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-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine?
The IUPAC name of 3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine (CID 11717884) is 3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine.
What is the SMILES notation for 3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine?
The canonical SMILES for 3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine is Fc1ccc(-c2cnnc(-c3c(F)cncc3F)c2)cc1-c1ncccc1F.
What is the InChIKey of 3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine?
The InChIKey is CVOASAXXOXOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H.
What are the key properties of 3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine?
3-(3,5-difluoro-4-pyridinyl)-5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine has a molecular weight of 382.32 g/mol, XLogP of 4.82, 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-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]pyridazine is sourced from PubChem (CID 11717884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).