[6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane

C13H11BrF2N2O2S — CID 146323069

IUPAC[6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1ccc(Oc2ccc(F)cc2F)c(Br)n1
InChIInChI=1S/C13H11BrF2N2O2S/c1-21(2,19)18-12-6-5-11(13(14)17-12)20-10-4-3-8(15)7-9(10)16/h3-7H,1-2H3
InChIKeyCVFXUVDZRZJPBY-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.27
Rot. Bonds3

About [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane

[6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane (PubChem CID 146323069) has the molecular formula C13H11BrF2N2O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
PubChem CID146323069
Molecular FormulaC13H11BrF2N2O2S
Molecular Weight377.21 g/mol
Exact Mass375.97
IUPAC Name[6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1ccc(Oc2ccc(F)cc2F)c(Br)n1
InChIInChI=1S/C13H11BrF2N2O2S/c1-21(2,19)18-12-6-5-11(13(14)17-12)20-10-4-3-8(15)7-9(10)16/h3-7H,1-2H3
InChIKeyCVFXUVDZRZJPBY-UHFFFAOYSA-N
XLogP4.27
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.21
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 57312102
CID 57312102
CID 146309554
CID 146309554
CID 146309562
CID 146309562
CID 146323064
CID 146323064
CID 146323065
CID 146323065
CID 146323070
CID 146323070
CID 156400993
CID 156400993
CID 175141444
CID 175141444
CID 91649211
CID 91649211
CID 113917599
CID 113917599
CID 141903699
CID 141903699
CID 59605512
CID 59605512

Frequently Asked Questions

What is the IUPAC name of [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane (CID 146323069) is [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane is CS(C)(=O)=Nc1ccc(Oc2ccc(F)cc2F)c(Br)n1.
What is the InChIKey of [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is CVFXUVDZRZJPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2S/c1-21(2,19)18-12-6-5-11(13(14)17-12)20-10-4-3-8(15)7-9(10)16/h3-7H,1-2H3.
What are the key properties of [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
[6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane has a molecular weight of 377.21 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 146323069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).