2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one

C15H16F2N2O2 — CID 59400695

IUPAC2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O
InChIInChI=1S/C15H16F2N2O2/c1-3-11-14(20)13(10-7-5-4-6-9(10)2)15(21)19(18-11)8-12(16)17/h4-7,12,20H,3,8H2,1-2H3
InChIKeyJCRCJSCAVBJGSL-UHFFFAOYSA-N
MW294.30 g/mol
LogP2.75
Rot. Bonds4

About 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one

2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one (PubChem CID 59400695) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
PubChem CID59400695
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one
SMILESCCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O
InChIInChI=1S/C15H16F2N2O2/c1-3-11-14(20)13(10-7-5-4-6-9(10)2)15(21)19(18-11)8-12(16)17/h4-7,12,20H,3,8H2,1-2H3
InChIKeyJCRCJSCAVBJGSL-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one (CID 59400695) is 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one is CCc1nn(CC(F)F)c(=O)c(-c2ccccc2C)c1O.
What is the InChIKey of 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
The InChIKey is JCRCJSCAVBJGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-3-11-14(20)13(10-7-5-4-6-9(10)2)15(21)19(18-11)8-12(16)17/h4-7,12,20H,3,8H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one?
2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one has a molecular weight of 294.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-6-ethyl-5-hydroxy-4-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 59400695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).