4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one

C12H11ClFN3O2S — CID 20651389

IUPAC4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one
SMILESCc1cc(-n2ncc(S(C)=O)c(N)c2=O)c(F)cc1Cl
InChIInChI=1S/C12H11ClFN3O2S/c1-6-3-9(8(14)4-7(6)13)17-12(18)11(15)10(5-16-17)20(2)19/h3-5H,15H2,1-2H3
InChIKeyGPYCHVOMXBZFGP-UHFFFAOYSA-N
MW315.76 g/mol
LogP1.65
Rot. Bonds2

About 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one

4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one (PubChem CID 20651389) has the molecular formula C12H11ClFN3O2S and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one
PubChem CID20651389
Molecular FormulaC12H11ClFN3O2S
Molecular Weight315.76 g/mol
Exact Mass315.02
IUPAC Name4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one
SMILESCc1cc(-n2ncc(S(C)=O)c(N)c2=O)c(F)cc1Cl
InChIInChI=1S/C12H11ClFN3O2S/c1-6-3-9(8(14)4-7(6)13)17-12(18)11(15)10(5-16-17)20(2)19/h3-5H,15H2,1-2H3
InChIKeyGPYCHVOMXBZFGP-UHFFFAOYSA-N
XLogP1.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-4-chloro-2-fluorophenyl)-4,5-dimethylpyridazin-3-one;2-(4-chloro-2-fluoro-5-methylphenyl)-4,5-dimethylpyridazin-3-one
CID 158408147
2-(5-amino-2-fluoro-4-methylphenyl)-5-methylpyridazin-3-one
CID 68604561
ethyl 2-[2-chloro-5-(4,5-dimethyl-6-oxopyridazin-1-yl)-4-fluorophenoxy]acetate
CID 59875313
5-bromo-4-chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)pyridazin-3-one
CID 22000054
2-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 18689486
2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetaldehyde
CID 18689487
4-fluoro-2-methyl-5-(4-methyl-6-oxopyridazin-1-yl)benzamide
CID 68604559
4-chloro-2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5-methylsulfanylpyridazin-3-one
CID 22000051
2-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-4-methyl-5-(trifluoromethyl)pyridazin-3-one
CID 22898321
9-(4-chloro-2-fluoro-5-methylphenyl)-6-fluoro-2,2-dioxo-3,4-dihydropyrimido[2,1-c][1,2,4]thiadiazin-8-one
CID 54299968
2-(4-bromo-2-fluoro-5-propan-2-yloxyphenyl)-4,5-dimethylpyridazin-3-one
CID 59875300
1-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-4-(trifluoromethylsulfinyl)pyrazole
CID 141380449

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one?
The IUPAC name of 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one (CID 20651389) is 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one.
What is the SMILES notation for 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one?
The canonical SMILES for 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one is Cc1cc(-n2ncc(S(C)=O)c(N)c2=O)c(F)cc1Cl.
What is the InChIKey of 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one?
The InChIKey is GPYCHVOMXBZFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O2S/c1-6-3-9(8(14)4-7(6)13)17-12(18)11(15)10(5-16-17)20(2)19/h3-5H,15H2,1-2H3.
What are the key properties of 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one?
4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one has a molecular weight of 315.76 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-chloro-2-fluoro-5-methylphenyl)-5-methylsulfinylpyridazin-3-one is sourced from PubChem (CID 20651389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).