4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one

C12H10Br2N2O2 — CID 115576901

IUPAC4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(Br)c(Br)c2=O)c1
InChIInChI=1S/C12H10Br2N2O2/c1-18-9-4-2-3-8(5-9)7-16-12(17)11(14)10(13)6-15-16/h2-6H,7H2,1H3
InChIKeyGWCYVTSCSAFLIR-UHFFFAOYSA-N
MW374.03 g/mol
LogP2.83
Rot. Bonds3

About 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one

4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one (PubChem CID 115576901) has the molecular formula C12H10Br2N2O2 and a molecular weight of 374.03 g/mol. Its IUPAC name is 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
PubChem CID115576901
Molecular FormulaC12H10Br2N2O2
Molecular Weight374.03 g/mol
Exact Mass371.91
IUPAC Name4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
SMILESCOc1cccc(Cn2ncc(Br)c(Br)c2=O)c1
InChIInChI=1S/C12H10Br2N2O2/c1-18-9-4-2-3-8(5-9)7-16-12(17)11(14)10(13)6-15-16/h2-6H,7H2,1H3
InChIKeyGWCYVTSCSAFLIR-UHFFFAOYSA-N
XLogP2.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.03
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 44543602
3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 50999870
3-bromo-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 114761033
3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
CID 154681916
4,5-dibromo-2-[(4-tert-butylphenyl)methyl]pyridazin-3-one
CID 31202795
5-bromo-2-[(4-methoxyphenyl)methyl]-4-(methylamino)pyridazin-3-one
CID 46930441
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 114643089
3-[(3-methoxyphenyl)methyl]-5-methyl-8-(trifluoromethyl)pyridazino[4,5-b]indol-4-one
CID 154681762
4,5-dibromo-2-(thiophen-3-ylmethyl)pyridazin-3-one
CID 114386335
3-(4-bromo-5-methylpyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 19297441
4-chloro-1-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-6-amine
CID 22015510
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one (CID 115576901) is 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one is COc1cccc(Cn2ncc(Br)c(Br)c2=O)c1.
What is the InChIKey of 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one?
The InChIKey is GWCYVTSCSAFLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2/c1-18-9-4-2-3-8(5-9)7-16-12(17)11(14)10(13)6-15-16/h2-6H,7H2,1H3.
What are the key properties of 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one?
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one has a molecular weight of 374.03 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 115576901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).