3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one

C11H10FN3O — CID 106515803

IUPAC3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCc1c(-c2cncc(F)c2)n[nH]c(=O)c1C
InChIInChI=1S/C11H10FN3O/c1-6-7(2)11(16)15-14-10(6)8-3-9(12)5-13-4-8/h3-5H,1-2H3,(H,15,16)
InChIKeyZUJYHKOQKLZWSV-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.59
Rot. Bonds1

About 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one

3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one (PubChem CID 106515803) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one
PubChem CID106515803
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCc1c(-c2cncc(F)c2)n[nH]c(=O)c1C
InChIInChI=1S/C11H10FN3O/c1-6-7(2)11(16)15-14-10(6)8-3-9(12)5-13-4-8/h3-5H,1-2H3,(H,15,16)
InChIKeyZUJYHKOQKLZWSV-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one (CID 106515803) is 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one is Cc1c(-c2cncc(F)c2)n[nH]c(=O)c1C.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is ZUJYHKOQKLZWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-6-7(2)11(16)15-14-10(6)8-3-9(12)5-13-4-8/h3-5H,1-2H3,(H,15,16).
What are the key properties of 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one?
3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 219.22 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-4,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 106515803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).