4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one

C15H9F2N3O — CID 11666367

IUPAC4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cn[nH]1
InChIInChI=1S/C15H9F2N3O/c16-12-4-3-9(10-7-14(21)20-19-8-10)6-11(12)15-13(17)2-1-5-18-15/h1-8H,(H,20,21)
InChIKeyWZBXFVXMBWZDDU-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.78
Rot. Bonds2

About 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one

4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one (PubChem CID 11666367) has the molecular formula C15H9F2N3O and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one
PubChem CID11666367
Molecular FormulaC15H9F2N3O
Molecular Weight285.25 g/mol
Exact Mass285.07
IUPAC Name4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one
SMILESO=c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cn[nH]1
InChIInChI=1S/C15H9F2N3O/c16-12-4-3-9(10-7-14(21)20-19-8-10)6-11(12)15-13(17)2-1-5-18-15/h1-8H,(H,20,21)
InChIKeyWZBXFVXMBWZDDU-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one (CID 11666367) is 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one is O=c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cn[nH]1.
What is the InChIKey of 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one?
The InChIKey is WZBXFVXMBWZDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O/c16-12-4-3-9(10-7-14(21)20-19-8-10)6-11(12)15-13(17)2-1-5-18-15/h1-8H,(H,20,21).
What are the key properties of 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one?
4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one has a molecular weight of 285.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 11666367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).