3-(3,4-difluoroanilino)-1H-pyridazin-6-one

C10H7F2N3O — CID 141300651

IUPAC3-(3,4-difluoroanilino)-1H-pyridazin-6-one
SMILESO=c1ccc(Nc2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C10H7F2N3O/c11-7-2-1-6(5-8(7)12)13-9-3-4-10(16)15-14-9/h1-5H,(H,13,14)(H,15,16)
InChIKeyZDCRGZFRNVQOAM-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.79
Rot. Bonds2

About 3-(3,4-difluoroanilino)-1H-pyridazin-6-one

3-(3,4-difluoroanilino)-1H-pyridazin-6-one (PubChem CID 141300651) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 3-(3,4-difluoroanilino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3,4-difluoroanilino)-1H-pyridazin-6-one
PubChem CID141300651
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name3-(3,4-difluoroanilino)-1H-pyridazin-6-one
SMILESO=c1ccc(Nc2ccc(F)c(F)c2)n[nH]1
InChIInChI=1S/C10H7F2N3O/c11-7-2-1-6(5-8(7)12)13-9-3-4-10(16)15-14-9/h1-5H,(H,13,14)(H,15,16)
InChIKeyZDCRGZFRNVQOAM-UHFFFAOYSA-N
XLogP1.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluoroanilino)-1H-pyridazin-6-one?
The IUPAC name of 3-(3,4-difluoroanilino)-1H-pyridazin-6-one (CID 141300651) is 3-(3,4-difluoroanilino)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3,4-difluoroanilino)-1H-pyridazin-6-one?
The canonical SMILES for 3-(3,4-difluoroanilino)-1H-pyridazin-6-one is O=c1ccc(Nc2ccc(F)c(F)c2)n[nH]1.
What is the InChIKey of 3-(3,4-difluoroanilino)-1H-pyridazin-6-one?
The InChIKey is ZDCRGZFRNVQOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-7-2-1-6(5-8(7)12)13-9-3-4-10(16)15-14-9/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 3-(3,4-difluoroanilino)-1H-pyridazin-6-one?
3-(3,4-difluoroanilino)-1H-pyridazin-6-one has a molecular weight of 223.18 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluoroanilino)-1H-pyridazin-6-one is sourced from PubChem (CID 141300651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).