3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol

C12H6ClF2N3O3S — CID 59623744

IUPAC3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol
SMILESO=S1(=O)Nc2nccnc2C(O)=C1c1c(F)ccc(F)c1Cl
InChIInChI=1S/C12H6ClF2N3O3S/c13-8-6(15)2-1-5(14)7(8)11-10(19)9-12(17-4-3-16-9)18-22(11,20)21/h1-4,19H,(H,17,18)
InChIKeyOZXNEPVVIVITEX-UHFFFAOYSA-N
MW345.71 g/mol
LogP2.55
Rot. Bonds1

About 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol

3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol (PubChem CID 59623744) has the molecular formula C12H6ClF2N3O3S and a molecular weight of 345.71 g/mol. Its IUPAC name is 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol.

Molecular Properties

Compound Name3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol
PubChem CID59623744
Molecular FormulaC12H6ClF2N3O3S
Molecular Weight345.71 g/mol
Exact Mass344.98
IUPAC Name3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol
SMILESO=S1(=O)Nc2nccnc2C(O)=C1c1c(F)ccc(F)c1Cl
InChIInChI=1S/C12H6ClF2N3O3S/c13-8-6(15)2-1-5(14)7(8)11-10(19)9-12(17-4-3-16-9)18-22(11,20)21/h1-4,19H,(H,17,18)
InChIKeyOZXNEPVVIVITEX-UHFFFAOYSA-N
XLogP2.55
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-Chloro-2-(trifluoromethyl)phenyl]-1-ethyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
CID 59623730
3-[2-Chloro-5-(trifluoromethyl)phenyl]-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
CID 59623731
3-(2,3-Dichloro-6-fluorophenyl)-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
CID 59623739
2,2-Dimethyl-propionic acid-3-(2-chloro-3,6-difluoro-phenyl)-2,2-dioxo-1,2-dihydro-2-lambda-6-thia-1,5,8-triaza-naphthalen-4-yl ester
CID 59623756
3-[2-Chloro-5-(trifluoromethyl)phenyl]-1-(2,2-difluoroethyl)-5-oxido-2,2-dioxopyrazino[2,3-c]thiazin-5-ium-4-ol
CID 59623760
[3-[2-Chloro-5-(trifluoromethyl)phenyl]-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] methanesulfonate
CID 59623761
3-[2-Chloro-6-(trifluoromethyl)phenyl]-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
CID 87086584
[3-[2-Chloro-5-(trifluoromethyl)phenyl]-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-yl] methanesulfinate
CID 89186569
3-[2-Chloro-5-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
CID 163618666
3-(2,4-Dichlorophenyl)-1-methyl-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
CID 59623735

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol?
The IUPAC name of 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol (CID 59623744) is 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol.
What is the SMILES notation for 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol?
The canonical SMILES for 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol is O=S1(=O)Nc2nccnc2C(O)=C1c1c(F)ccc(F)c1Cl.
What is the InChIKey of 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol?
The InChIKey is OZXNEPVVIVITEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N3O3S/c13-8-6(15)2-1-5(14)7(8)11-10(19)9-12(17-4-3-16-9)18-22(11,20)21/h1-4,19H,(H,17,18).
What are the key properties of 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol?
3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol has a molecular weight of 345.71 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3,6-difluorophenyl)-2,2-dioxo-1H-pyrazino[2,3-c]thiazin-4-ol is sourced from PubChem (CID 59623744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).