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

C13H11BrF2N2O2S — CID 146323070

IUPAC[4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1cc(Br)c(Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C13H11BrF2N2O2S/c1-21(2,19)18-13-6-9(14)12(7-17-13)20-11-4-3-8(15)5-10(11)16/h3-7H,1-2H3
InChIKeyZGECTCBUWMOUAO-UHFFFAOYSA-N
MW377.21 g/mol
LogP4.27
Rot. Bonds3

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

[4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane (PubChem CID 146323070) has the molecular formula C13H11BrF2N2O2S and a molecular weight of 377.21 g/mol. Its IUPAC name is [4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
PubChem CID146323070
Molecular FormulaC13H11BrF2N2O2S
Molecular Weight377.21 g/mol
Exact Mass375.97
IUPAC Name[4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane
SMILESCS(C)(=O)=Nc1cc(Br)c(Oc2ccc(F)cc2F)cn1
InChIInChI=1S/C13H11BrF2N2O2S/c1-21(2,19)18-13-6-9(14)12(7-17-13)20-11-4-3-8(15)5-10(11)16/h3-7H,1-2H3
InChIKeyZGECTCBUWMOUAO-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

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of [4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane (CID 146323070) is [4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for [4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for [4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane is CS(C)(=O)=Nc1cc(Br)c(Oc2ccc(F)cc2F)cn1.
What is the InChIKey of [4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is ZGECTCBUWMOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF2N2O2S/c1-21(2,19)18-13-6-9(14)12(7-17-13)20-11-4-3-8(15)5-10(11)16/h3-7H,1-2H3.
What are the key properties of [4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane?
[4-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 [4-bromo-5-(2,4-difluorophenoxy)-2-pyridinyl]imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 146323070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).