2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one

C14H14BrF2N3O — CID 18717253

IUPAC2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
SMILESCc1cc(Br)c(C)nc1-n1nc(C)c(C(C)(F)F)cc1=O
InChIInChI=1S/C14H14BrF2N3O/c1-7-5-11(15)9(3)18-13(7)20-12(21)6-10(8(2)19-20)14(4,16)17/h5-6H,1-4H3
InChIKeyWBYGAYQLFOHFPG-UHFFFAOYSA-N
MW358.19 g/mol
LogP3.43
Rot. Bonds2

About 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one

2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one (PubChem CID 18717253) has the molecular formula C14H14BrF2N3O and a molecular weight of 358.19 g/mol. Its IUPAC name is 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
PubChem CID18717253
Molecular FormulaC14H14BrF2N3O
Molecular Weight358.19 g/mol
Exact Mass357.03
IUPAC Name2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
SMILESCc1cc(Br)c(C)nc1-n1nc(C)c(C(C)(F)F)cc1=O
InChIInChI=1S/C14H14BrF2N3O/c1-7-5-11(15)9(3)18-13(7)20-12(21)6-10(8(2)19-20)14(4,16)17/h5-6H,1-4H3
InChIKeyWBYGAYQLFOHFPG-UHFFFAOYSA-N
XLogP3.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.19
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one with MolForge

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Related Compounds

2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-ethylpyridazin-3-one
CID 18717250
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4-methylpyridazin-3-one
CID 18717251
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-ethylpyridazin-3-one
CID 18717252
2-(5-Bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
CID 18717254
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-4,6-dimethylpyridazin-3-one
CID 18717262
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
CID 18717265
2-(5-Chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
CID 18717266
2-(5-Isocyano-3,6-dimethyl-2-pyridinyl)-6-propyl-5-(trifluoromethyl)pyridazin-3-one
CID 18717281
3-(5-Bromo-3,6-dimethyl-2-pyridinyl)-6-(1,1-difluoroethyl)-1-methylpyrimidine-2,4-dione
CID 18717309
4-Chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one
CID 18717373
5-(1,1-Difluoroethyl)-4-ethyl-2-(3,5,6-trimethyl-2-pyridinyl)pyridazin-3-one
CID 18717391
6-Chloro-2-(5-chloro-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)pyridazin-3-one
CID 18717411

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one?
The IUPAC name of 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one (CID 18717253) is 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one.
What is the SMILES notation for 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one?
The canonical SMILES for 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one is Cc1cc(Br)c(C)nc1-n1nc(C)c(C(C)(F)F)cc1=O.
What is the InChIKey of 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one?
The InChIKey is WBYGAYQLFOHFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3O/c1-7-5-11(15)9(3)18-13(7)20-12(21)6-10(8(2)19-20)14(4,16)17/h5-6H,1-4H3.
What are the key properties of 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one?
2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one has a molecular weight of 358.19 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3,6-dimethyl-2-pyridinyl)-5-(1,1-difluoroethyl)-6-methylpyridazin-3-one is sourced from PubChem (CID 18717253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).