5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one

C13H13F2N3O — CID 18717387

IUPAC5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one
SMILESCc1cnc(-n2ncc(C(C)(F)F)cc2=O)c(C)c1
InChIInChI=1S/C13H13F2N3O/c1-8-4-9(2)12(16-6-8)18-11(19)5-10(7-17-18)13(3,14)15/h4-7H,1-3H3
InChIKeyGSRBONGBTWMTTQ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.36
Rot. Bonds2

About 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one

5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one (PubChem CID 18717387) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one
PubChem CID18717387
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one
SMILESCc1cnc(-n2ncc(C(C)(F)F)cc2=O)c(C)c1
InChIInChI=1S/C13H13F2N3O/c1-8-4-9(2)12(16-6-8)18-11(19)5-10(7-17-18)13(3,14)15/h4-7H,1-3H3
InChIKeyGSRBONGBTWMTTQ-UHFFFAOYSA-N
XLogP2.36
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one (CID 18717387) is 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one is Cc1cnc(-n2ncc(C(C)(F)F)cc2=O)c(C)c1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one?
The InChIKey is GSRBONGBTWMTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-8-4-9(2)12(16-6-8)18-11(19)5-10(7-17-18)13(3,14)15/h4-7H,1-3H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one?
5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one has a molecular weight of 265.26 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(3,5-dimethyl-2-pyridinyl)pyridazin-3-one is sourced from PubChem (CID 18717387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).