4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one

C19H17F2N3O2 — CID 86764104

IUPAC4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
SMILESCc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)n[nH]c(=O)c1C
InChIInChI=1S/C19H17F2N3O2/c1-10-9-13(26-19-15(17(20)21)5-4-8-22-19)6-7-14(10)16-11(2)18(25)24-23-12(16)3/h4-9,17H,1-3H3,(H,24,25)
InChIKeyTUWOXNPAAGERKH-UHFFFAOYSA-N
MW357.36 g/mol
LogP4.49
Rot. Bonds4

About 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one

4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one (PubChem CID 86764104) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
PubChem CID86764104
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
SMILESCc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)n[nH]c(=O)c1C
InChIInChI=1S/C19H17F2N3O2/c1-10-9-13(26-19-15(17(20)21)5-4-8-22-19)6-7-14(10)16-11(2)18(25)24-23-12(16)3/h4-9,17H,1-3H3,(H,24,25)
InChIKeyTUWOXNPAAGERKH-UHFFFAOYSA-N
XLogP4.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one (CID 86764104) is 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one is Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)n[nH]c(=O)c1C.
What is the InChIKey of 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is TUWOXNPAAGERKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-10-9-13(26-19-15(17(20)21)5-4-8-22-19)6-7-14(10)16-11(2)18(25)24-23-12(16)3/h4-9,17H,1-3H3,(H,24,25).
What are the key properties of 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one?
4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 357.36 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(difluoromethyl)-2-pyridinyl]oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 86764104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).