6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one

C19H14BrCl2FN2O3 — CID 165389201

IUPAC6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one
SMILESCOc1cc(OC)c(Br)c(-c2nn(C)c(=O)c(Cl)c2-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C19H14BrCl2FN2O3/c1-25-19(26)17(22)15(11-5-4-9(23)6-13(11)21)18(24-25)12-7-10(27-2)8-14(28-3)16(12)20/h4-8H,1-3H3
InChIKeyHPJYAFUMAXINDT-UHFFFAOYSA-N
MW488.14 g/mol
LogP5.34
Rot. Bonds4

About 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one

6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one (PubChem CID 165389201) has the molecular formula C19H14BrCl2FN2O3 and a molecular weight of 488.14 g/mol. Its IUPAC name is 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one
PubChem CID165389201
Molecular FormulaC19H14BrCl2FN2O3
Molecular Weight488.14 g/mol
Exact Mass485.95
IUPAC Name6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one
SMILESCOc1cc(OC)c(Br)c(-c2nn(C)c(=O)c(Cl)c2-c2ccc(F)cc2Cl)c1
InChIInChI=1S/C19H14BrCl2FN2O3/c1-25-19(26)17(22)15(11-5-4-9(23)6-13(11)21)18(24-25)12-7-10(27-2)8-14(28-3)16(12)20/h4-8H,1-3H3
InChIKeyHPJYAFUMAXINDT-UHFFFAOYSA-N
XLogP5.34
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.14
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(4-chloro-3,5-dimethoxyphenyl)-4-(2-chloro-4-fluorophenyl)-1-methylpyridin-2-one
CID 170562351
4-chloro-5-(2,6-difluorophenyl)-6-(3,5-dimethoxyphenyl)-2-methylpyridazin-3-one
CID 165389177
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole
CID 137458585
3-(5-bromothiophen-3-yl)-4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 107962720
4-amino-2-methyl-6-(2,4,6-trimethoxyphenyl)pyridazin-3-one
CID 82467469
1-N-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-4-methoxybenzene-1,2-diamine
CID 137458410
4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole
CID 141279737
4-(2-chloro-4-fluorophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921984
4-(2-chloro-4-fluorophenyl)-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazol-5-amine
CID 137458665
4-(2-chloro-4-fluorophenyl)-5-(4-chlorophenyl)-1-methylpyrazol-3-amine
CID 66880474
4-(2,6-difluoro-4-methoxyphenyl)-5-(2,4-difluorophenyl)-1,3-dimethylpyrazole
CID 91492150
6-(4-chloro-3,5-dimethoxyphenyl)-5-(2,6-difluorophenyl)-2-methylpyridazin-3-one
CID 165389179

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one (CID 165389201) is 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one is COc1cc(OC)c(Br)c(-c2nn(C)c(=O)c(Cl)c2-c2ccc(F)cc2Cl)c1.
What is the InChIKey of 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one?
The InChIKey is HPJYAFUMAXINDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrCl2FN2O3/c1-25-19(26)17(22)15(11-5-4-9(23)6-13(11)21)18(24-25)12-7-10(27-2)8-14(28-3)16(12)20/h4-8H,1-3H3.
What are the key properties of 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one?
6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one has a molecular weight of 488.14 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-3,5-dimethoxyphenyl)-4-chloro-5-(2-chloro-4-fluorophenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 165389201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).