5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one

C17H10F4N2O — CID 165389180

IUPAC5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2c(F)cccc2F)c(-c2c(F)cccc2F)cc1=O
InChIInChI=1S/C17H10F4N2O/c1-23-14(24)8-9(15-10(18)4-2-5-11(15)19)17(22-23)16-12(20)6-3-7-13(16)21/h2-8H,1H3
InChIKeyBETWUPWJVRTOBI-UHFFFAOYSA-N
MW334.27 g/mol
LogP3.67
Rot. Bonds2

About 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one

5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one (PubChem CID 165389180) has the molecular formula C17H10F4N2O and a molecular weight of 334.27 g/mol. Its IUPAC name is 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one
PubChem CID165389180
Molecular FormulaC17H10F4N2O
Molecular Weight334.27 g/mol
Exact Mass334.07
IUPAC Name5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one
SMILESCn1nc(-c2c(F)cccc2F)c(-c2c(F)cccc2F)cc1=O
InChIInChI=1S/C17H10F4N2O/c1-23-14(24)8-9(15-10(18)4-2-5-11(15)19)17(22-23)16-12(20)6-3-7-13(16)21/h2-8H,1H3
InChIKeyBETWUPWJVRTOBI-UHFFFAOYSA-N
XLogP3.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one?
The IUPAC name of 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one (CID 165389180) is 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one is Cn1nc(-c2c(F)cccc2F)c(-c2c(F)cccc2F)cc1=O.
What is the InChIKey of 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one?
The InChIKey is BETWUPWJVRTOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N2O/c1-23-14(24)8-9(15-10(18)4-2-5-11(15)19)17(22-23)16-12(20)6-3-7-13(16)21/h2-8H,1H3.
What are the key properties of 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one?
5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one has a molecular weight of 334.27 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(2,6-difluorophenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 165389180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).