4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one

C13H12BrFN2O2 — CID 166973438

IUPAC4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one
SMILESCc1ccc(F)c(-c2c(O)c(C)nn(C)c2=O)c1Br
InChIInChI=1S/C13H12BrFN2O2/c1-6-4-5-8(15)9(11(6)14)10-12(18)7(2)16-17(3)13(10)19/h4-5,18H,1-3H3
InChIKeyMFJQRIFYRAXOOX-UHFFFAOYSA-N
MW327.15 g/mol
LogP2.67
Rot. Bonds1

About 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one

4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one (PubChem CID 166973438) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one
PubChem CID166973438
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one
SMILESCc1ccc(F)c(-c2c(O)c(C)nn(C)c2=O)c1Br
InChIInChI=1S/C13H12BrFN2O2/c1-6-4-5-8(15)9(11(6)14)10-12(18)7(2)16-17(3)13(10)19/h4-5,18H,1-3H3
InChIKeyMFJQRIFYRAXOOX-UHFFFAOYSA-N
XLogP2.67
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one?
The IUPAC name of 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one (CID 166973438) is 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one is Cc1ccc(F)c(-c2c(O)c(C)nn(C)c2=O)c1Br.
What is the InChIKey of 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one?
The InChIKey is MFJQRIFYRAXOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-6-4-5-8(15)9(11(6)14)10-12(18)7(2)16-17(3)13(10)19/h4-5,18H,1-3H3.
What are the key properties of 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one?
4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one has a molecular weight of 327.15 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-fluoro-3-methylphenyl)-5-hydroxy-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 166973438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).