3-(4-fluoroanilino)-1H-pyridazin-6-one

C10H8FN3O — CID 141300653

IUPAC3-(4-fluoroanilino)-1H-pyridazin-6-one
SMILESO=c1ccc(Nc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C10H8FN3O/c11-7-1-3-8(4-2-7)12-9-5-6-10(15)14-13-9/h1-6H,(H,12,13)(H,14,15)
InChIKeyUJBMMKSONNBMHR-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.65
Rot. Bonds2

About 3-(4-fluoroanilino)-1H-pyridazin-6-one

3-(4-fluoroanilino)-1H-pyridazin-6-one (PubChem CID 141300653) has the molecular formula C10H8FN3O and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-1H-pyridazin-6-one
PubChem CID141300653
Molecular FormulaC10H8FN3O
Molecular Weight205.19 g/mol
Exact Mass205.07
IUPAC Name3-(4-fluoroanilino)-1H-pyridazin-6-one
SMILESO=c1ccc(Nc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C10H8FN3O/c11-7-1-3-8(4-2-7)12-9-5-6-10(15)14-13-9/h1-6H,(H,12,13)(H,14,15)
InChIKeyUJBMMKSONNBMHR-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-fluoroanilino)-1H-pyridazin-6-one (CID 141300653) is 3-(4-fluoroanilino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-fluoroanilino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-fluoroanilino)-1H-pyridazin-6-one is O=c1ccc(Nc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluoroanilino)-1H-pyridazin-6-one?
The InChIKey is UJBMMKSONNBMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O/c11-7-1-3-8(4-2-7)12-9-5-6-10(15)14-13-9/h1-6H,(H,12,13)(H,14,15).
What are the key properties of 3-(4-fluoroanilino)-1H-pyridazin-6-one?
3-(4-fluoroanilino)-1H-pyridazin-6-one has a molecular weight of 205.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-1H-pyridazin-6-one is sourced from PubChem (CID 141300653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).