3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one

C12H10BrFN2O — CID 106650668

IUPAC3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCc1c(-c2cccc(Br)c2F)n[nH]c(=O)c1C
InChIInChI=1S/C12H10BrFN2O/c1-6-7(2)12(17)16-15-11(6)8-4-3-5-9(13)10(8)14/h3-5H,1-2H3,(H,16,17)
InChIKeyMRPDITNAYKDCTG-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.96
Rot. Bonds1

About 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one

3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one (PubChem CID 106650668) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one
PubChem CID106650668
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one
SMILESCc1c(-c2cccc(Br)c2F)n[nH]c(=O)c1C
InChIInChI=1S/C12H10BrFN2O/c1-6-7(2)12(17)16-15-11(6)8-4-3-5-9(13)10(8)14/h3-5H,1-2H3,(H,16,17)
InChIKeyMRPDITNAYKDCTG-UHFFFAOYSA-N
XLogP2.96
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromo-2-fluorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136980800
3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106521195
3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106516910
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 106646829
3-isoquinolin-4-yl-4,5-dimethyl-1H-pyridazin-6-one
CID 106518049
8-bromo-4-(2-methoxy-4-methylphenyl)-2H-phthalazin-1-one
CID 166151458
4,5-dimethyl-3-[3-(2-methylpropyl)phenyl]-1H-pyridazin-6-one
CID 106522097
3-(3-bromo-2-fluorophenyl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
CID 107954498
4-(2-fluoro-3-methoxyphenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136769843
3-(3-bromo-2-fluorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 107954589
4-(3-bromo-2,6-difluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 136965576
5-(3-bromo-2-fluorophenyl)-2,3-dihydroinden-1-one
CID 114081007

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one (CID 106650668) is 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one is Cc1c(-c2cccc(Br)c2F)n[nH]c(=O)c1C.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one?
The InChIKey is MRPDITNAYKDCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c1-6-7(2)12(17)16-15-11(6)8-4-3-5-9(13)10(8)14/h3-5H,1-2H3,(H,16,17).
What are the key properties of 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one?
3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one has a molecular weight of 297.13 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluorophenyl)-4,5-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 106650668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).