5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one

C11H8BrFN2O — CID 165373244

IUPAC5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one
SMILESCc1[nH]nc(-c2ccc(F)cc2)c(=O)c1Br
InChIInChI=1S/C11H8BrFN2O/c1-6-9(12)11(16)10(15-14-6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,16)
InChIKeyQLFCQZWKPIVCHT-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.65
Rot. Bonds1

About 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one

5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one (PubChem CID 165373244) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one.

Molecular Properties

Compound Name5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one
PubChem CID165373244
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one
SMILESCc1[nH]nc(-c2ccc(F)cc2)c(=O)c1Br
InChIInChI=1S/C11H8BrFN2O/c1-6-9(12)11(16)10(15-14-6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,16)
InChIKeyQLFCQZWKPIVCHT-UHFFFAOYSA-N
XLogP2.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis(4-fluorophenyl)-4-methyl-1H-pyrazole
CID 19587640
5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
CID 83913544
4-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]benzenesulfonamide
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3-(4-bromophenyl)-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125455921
4-bromo-5-methyl-3-naphthalen-2-yl-1H-pyrazole
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7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126665990
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-4-methyl-1,3-thiazole
CID 143320499
[3-(4-fluorophenyl)-4-methyl-1H-pyrazol-5-yl]methanamine
CID 83848218
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
(4S)-4-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 7306255
3-(4-bromophenyl)-1H-cinnolin-4-one
CID 15194097
4-[4-(4-fluorophenyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one
CID 20570015

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one?
The IUPAC name of 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one (CID 165373244) is 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one.
What is the SMILES notation for 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one?
The canonical SMILES for 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one is Cc1[nH]nc(-c2ccc(F)cc2)c(=O)c1Br.
What is the InChIKey of 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one?
The InChIKey is QLFCQZWKPIVCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c1-6-9(12)11(16)10(15-14-6)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,14,16).
What are the key properties of 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one?
5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one has a molecular weight of 283.10 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-fluorophenyl)-6-methyl-1H-pyridazin-4-one is sourced from PubChem (CID 165373244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).