6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one

C17H12BrFN2O — CID 7663425

IUPAC6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Br)cc2)nn1Cc1ccccc1F
InChIInChI=1S/C17H12BrFN2O/c18-14-7-5-12(6-8-14)16-9-10-17(22)21(20-16)11-13-3-1-2-4-15(13)19/h1-10H,11H2
InChIKeyACUGHNLHAMDDMA-UHFFFAOYSA-N
MW359.20 g/mol
LogP3.86
Rot. Bonds3

About 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one

6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 7663425) has the molecular formula C17H12BrFN2O and a molecular weight of 359.20 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
PubChem CID7663425
Molecular FormulaC17H12BrFN2O
Molecular Weight359.20 g/mol
Exact Mass358.01
IUPAC Name6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccc(Br)cc2)nn1Cc1ccccc1F
InChIInChI=1S/C17H12BrFN2O/c18-14-7-5-12(6-8-14)16-9-10-17(22)21(20-16)11-13-3-1-2-4-15(13)19/h1-10H,11H2
InChIKeyACUGHNLHAMDDMA-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
2-[(2-fluorophenyl)methyl]-6-phenylpyridazin-3-one
CID 6461113
2-[(2-fluorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
CID 7658874
6-(4-bromophenyl)-2-[(2,6-dichlorophenyl)methyl]pyridazin-3-one
CID 171340334
6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 30850166
N-[(5-bromo-2-fluorophenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55829227
6-(4-bromophenyl)-2-[(3-nitrophenyl)methyl]pyridazin-3-one
CID 7663565
6-(4-bromophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077309
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3-one
CID 121051087
N-benzyl-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 121051054
N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923283
2-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]benzoic acid
CID 91259873

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one (CID 7663425) is 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one is O=c1ccc(-c2ccc(Br)cc2)nn1Cc1ccccc1F.
What is the InChIKey of 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is ACUGHNLHAMDDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O/c18-14-7-5-12(6-8-14)16-9-10-17(22)21(20-16)11-13-3-1-2-4-15(13)19/h1-10H,11H2.
What are the key properties of 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 359.20 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 7663425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).