3-bromo-4-fluoro-2-(trifluoromethyl)pyridine

C6H2BrF4N — CID 118704099

IUPAC3-bromo-4-fluoro-2-(trifluoromethyl)pyridine
SMILESFc1ccnc(C(F)(F)F)c1Br
InChIInChI=1S/C6H2BrF4N/c7-4-3(8)1-2-12-5(4)6(9,10)11/h1-2H
InChIKeySTJIKZWXGBNCJM-UHFFFAOYSA-N
MW243.98 g/mol
LogP3.00
Rot. Bonds

About 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine

3-bromo-4-fluoro-2-(trifluoromethyl)pyridine (PubChem CID 118704099) has the molecular formula C6H2BrF4N and a molecular weight of 243.98 g/mol. Its IUPAC name is 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-fluoro-2-(trifluoromethyl)pyridine
PubChem CID118704099
Molecular FormulaC6H2BrF4N
Molecular Weight243.98 g/mol
Exact Mass242.93
IUPAC Name3-bromo-4-fluoro-2-(trifluoromethyl)pyridine
SMILESFc1ccnc(C(F)(F)F)c1Br
InChIInChI=1S/C6H2BrF4N/c7-4-3(8)1-2-12-5(4)6(9,10)11/h1-2H
InChIKeySTJIKZWXGBNCJM-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.98
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine (CID 118704099) is 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine is Fc1ccnc(C(F)(F)F)c1Br.
What is the InChIKey of 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine?
The InChIKey is STJIKZWXGBNCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF4N/c7-4-3(8)1-2-12-5(4)6(9,10)11/h1-2H.
What are the key properties of 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine?
3-bromo-4-fluoro-2-(trifluoromethyl)pyridine has a molecular weight of 243.98 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118704099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).