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

C20H11F3N4 — CID 11653463

IUPAC5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine
SMILESFc1cnccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1
InChIInChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H
InChIKeyMNTGRSPARUFALM-UHFFFAOYSA-N
MW364.33 g/mol
LogP4.68
Rot. Bonds3

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

5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine (PubChem CID 11653463) has the molecular formula C20H11F3N4 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine.

Molecular Properties

Compound Name5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine
PubChem CID11653463
Molecular FormulaC20H11F3N4
Molecular Weight364.33 g/mol
Exact Mass364.09
IUPAC Name5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine
SMILESFc1cnccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1
InChIInChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H
InChIKeyMNTGRSPARUFALM-UHFFFAOYSA-N
XLogP4.68
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine?
The IUPAC name of 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine (CID 11653463) is 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine.
What is the SMILES notation for 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine?
The canonical SMILES for 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine is Fc1cnccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1.
What is the InChIKey of 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine?
The InChIKey is MNTGRSPARUFALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H.
What are the key properties of 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine?
5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine has a molecular weight of 364.33 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-3-(3-fluoro-4-pyridinyl)pyridazine is sourced from PubChem (CID 11653463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).