2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine

C7H5BrF3NS — CID 133054613

IUPAC2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1cccnc1CBr
InChIInChI=1S/C7H5BrF3NS/c8-4-5-6(2-1-3-12-5)13-7(9,10)11/h1-3H,4H2
InChIKeySQNYXFNZDZIYDZ-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.59
Rot. Bonds2

About 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine

2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine (PubChem CID 133054613) has the molecular formula C7H5BrF3NS and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine
PubChem CID133054613
Molecular FormulaC7H5BrF3NS
Molecular Weight272.09 g/mol
Exact Mass270.93
IUPAC Name2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine
SMILESFC(F)(F)Sc1cccnc1CBr
InChIInChI=1S/C7H5BrF3NS/c8-4-5-6(2-1-3-12-5)13-7(9,10)11/h1-3H,4H2
InChIKeySQNYXFNZDZIYDZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine?
The IUPAC name of 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine (CID 133054613) is 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine.
What is the SMILES notation for 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine?
The canonical SMILES for 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine is FC(F)(F)Sc1cccnc1CBr.
What is the InChIKey of 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine?
The InChIKey is SQNYXFNZDZIYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NS/c8-4-5-6(2-1-3-12-5)13-7(9,10)11/h1-3H,4H2.
What are the key properties of 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine?
2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine has a molecular weight of 272.09 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-(trifluoromethylsulfanyl)pyridine is sourced from PubChem (CID 133054613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).