6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one

C11H9F2N3O — CID 162519865

IUPAC6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one
SMILESNc1ccc(-c2ccc(=O)n(C(F)F)n2)cc1
InChIInChI=1S/C11H9F2N3O/c12-11(13)16-10(17)6-5-9(15-16)7-1-3-8(14)4-2-7/h1-6,11H,14H2
InChIKeyDIZJHCXFGXFOTA-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.89
Rot. Bonds2

About 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one

6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one (PubChem CID 162519865) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one
PubChem CID162519865
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one
SMILESNc1ccc(-c2ccc(=O)n(C(F)F)n2)cc1
InChIInChI=1S/C11H9F2N3O/c12-11(13)16-10(17)6-5-9(15-16)7-1-3-8(14)4-2-7/h1-6,11H,14H2
InChIKeyDIZJHCXFGXFOTA-UHFFFAOYSA-N
XLogP1.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one?
The IUPAC name of 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one (CID 162519865) is 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one is Nc1ccc(-c2ccc(=O)n(C(F)F)n2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one?
The InChIKey is DIZJHCXFGXFOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c12-11(13)16-10(17)6-5-9(15-16)7-1-3-8(14)4-2-7/h1-6,11H,14H2.
What are the key properties of 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one?
6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one has a molecular weight of 237.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-2-(difluoromethyl)pyridazin-3-one is sourced from PubChem (CID 162519865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).