4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine

C7H4BrClF3N — CID 130893901

IUPAC4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)c(CCl)cn1
InChIInChI=1S/C7H4BrClF3N/c8-5-1-6(7(10,11)12)13-3-4(5)2-9/h1,3H,2H2
InChIKeyDAODIULAYLWZPW-UHFFFAOYSA-N
MW274.47 g/mol
LogP3.60
Rot. Bonds1

About 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine

4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine (PubChem CID 130893901) has the molecular formula C7H4BrClF3N and a molecular weight of 274.47 g/mol. Its IUPAC name is 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine
PubChem CID130893901
Molecular FormulaC7H4BrClF3N
Molecular Weight274.47 g/mol
Exact Mass272.92
IUPAC Name4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)c(CCl)cn1
InChIInChI=1S/C7H4BrClF3N/c8-5-1-6(7(10,11)12)13-3-4(5)2-9/h1,3H,2H2
InChIKeyDAODIULAYLWZPW-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine (CID 130893901) is 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Br)c(CCl)cn1.
What is the InChIKey of 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is DAODIULAYLWZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF3N/c8-5-1-6(7(10,11)12)13-3-4(5)2-9/h1,3H,2H2.
What are the key properties of 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine?
4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 274.47 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130893901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).