2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine

C6H2BrF3N2O2S — CID 119013174

IUPAC2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine
SMILESO=[N+]([O-])c1cc(Br)ncc1SC(F)(F)F
InChIInChI=1S/C6H2BrF3N2O2S/c7-5-1-3(12(13)14)4(2-11-5)15-6(8,9)10/h1-2H
InChIKeyIJAWZYUIBCGGSW-UHFFFAOYSA-N
MW303.06 g/mol
LogP3.36
Rot. Bonds2

About 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine

2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine (PubChem CID 119013174) has the molecular formula C6H2BrF3N2O2S and a molecular weight of 303.06 g/mol. Its IUPAC name is 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine
PubChem CID119013174
Molecular FormulaC6H2BrF3N2O2S
Molecular Weight303.06 g/mol
Exact Mass301.90
IUPAC Name2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine
SMILESO=[N+]([O-])c1cc(Br)ncc1SC(F)(F)F
InChIInChI=1S/C6H2BrF3N2O2S/c7-5-1-3(12(13)14)4(2-11-5)15-6(8,9)10/h1-2H
InChIKeyIJAWZYUIBCGGSW-UHFFFAOYSA-N
XLogP3.36
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 164551635
CID 164551635
2-bromo-4-(difluoromethyl)-5-nitropyridine
CID 119024108
1-bromo-4-methyl-5-nitro-2-(trifluoromethylsulfanyl)benzene
CID 134627833
CID 155702355
CID 155702355
6-bromo-3-nitro-2-(trifluoromethylsulfanyl)pyridine
CID 133097947
3-bromo-2-nitro-5-(trifluoromethylsulfanyl)pyridine
CID 133097859
[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 118807774
[2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 118843609
2,5-dimethyl-1-nitro-3-(trifluoromethylsulfanyl)benzene
CID 134615627
2-bromo-4-nitro-5-(triazol-2-yl)pyridine
CID 156539643
2-bromo-6-nitro-4-(trifluoromethylsulfanyl)aniline
CID 54395198
5-bromo-1-methyl-3-nitro-2-(trifluoromethylsulfanyl)benzene
CID 134629398

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine (CID 119013174) is 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine is O=[N+]([O-])c1cc(Br)ncc1SC(F)(F)F.
What is the InChIKey of 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine?
The InChIKey is IJAWZYUIBCGGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF3N2O2S/c7-5-1-3(12(13)14)4(2-11-5)15-6(8,9)10/h1-2H.
What are the key properties of 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine?
2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine has a molecular weight of 303.06 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 119013174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).