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

C6H2BrF4N — CID 56604237

IUPAC4-bromo-2-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1nccc(Br)c1C(F)(F)F
InChIInChI=1S/C6H2BrF4N/c7-3-1-2-12-5(8)4(3)6(9,10)11/h1-2H
InChIKeyYXFXSFBFEPFSAK-UHFFFAOYSA-N
MW243.98 g/mol
LogP3.00
Rot. Bonds

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

4-bromo-2-fluoro-3-(trifluoromethyl)pyridine (PubChem CID 56604237) has the molecular formula C6H2BrF4N and a molecular weight of 243.98 g/mol. Its IUPAC name is 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-fluoro-3-(trifluoromethyl)pyridine
PubChem CID56604237
Molecular FormulaC6H2BrF4N
Molecular Weight243.98 g/mol
Exact Mass242.93
IUPAC Name4-bromo-2-fluoro-3-(trifluoromethyl)pyridine
SMILESFc1nccc(Br)c1C(F)(F)F
InChIInChI=1S/C6H2BrF4N/c7-3-1-2-12-5(8)4(3)6(9,10)11/h1-2H
InChIKeyYXFXSFBFEPFSAK-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine (CID 56604237) is 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine is Fc1nccc(Br)c1C(F)(F)F.
What is the InChIKey of 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine?
The InChIKey is YXFXSFBFEPFSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF4N/c7-3-1-2-12-5(8)4(3)6(9,10)11/h1-2H.
What are the key properties of 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine?
4-bromo-2-fluoro-3-(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 4-bromo-2-fluoro-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 56604237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).