4-bromo-2-(trifluoromethyl)pyridine

C6H3BrF3N — CID 23436950

IUPAC4-bromo-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)ccn1
InChIInChI=1S/C6H3BrF3N/c7-4-1-2-11-5(3-4)6(8,9)10/h1-3H
InChIKeyQHLLEZOPZRBCOY-UHFFFAOYSA-N
MW226.00 g/mol
LogP2.86
Rot. Bonds

About 4-bromo-2-(trifluoromethyl)pyridine

4-bromo-2-(trifluoromethyl)pyridine (PubChem CID 23436950) has the molecular formula C6H3BrF3N and a molecular weight of 226.00 g/mol. Its IUPAC name is 4-bromo-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-(trifluoromethyl)pyridine
PubChem CID23436950
Molecular FormulaC6H3BrF3N
Molecular Weight226.00 g/mol
Exact Mass224.94
IUPAC Name4-bromo-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)ccn1
InChIInChI=1S/C6H3BrF3N/c7-4-1-2-11-5(3-4)6(8,9)10/h1-3H
InChIKeyQHLLEZOPZRBCOY-UHFFFAOYSA-N
XLogP2.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.00
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-2-(trifluoromethyl)pyridine (CID 23436950) is 4-bromo-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-2-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Br)ccn1.
What is the InChIKey of 4-bromo-2-(trifluoromethyl)pyridine?
The InChIKey is QHLLEZOPZRBCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3N/c7-4-1-2-11-5(3-4)6(8,9)10/h1-3H.
What are the key properties of 4-bromo-2-(trifluoromethyl)pyridine?
4-bromo-2-(trifluoromethyl)pyridine has a molecular weight of 226.00 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 23436950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).