4-(bromomethyl)-3-(trifluoromethyl)pyridine

C7H5BrF3N — CID 118704049

IUPAC4-(bromomethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnccc1CBr
InChIInChI=1S/C7H5BrF3N/c8-3-5-1-2-12-4-6(5)7(9,10)11/h1-2,4H,3H2
InChIKeyKRKNEDBXRIWMOF-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.00
Rot. Bonds1

About 4-(bromomethyl)-3-(trifluoromethyl)pyridine

4-(bromomethyl)-3-(trifluoromethyl)pyridine (PubChem CID 118704049) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 4-(bromomethyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(bromomethyl)-3-(trifluoromethyl)pyridine
PubChem CID118704049
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name4-(bromomethyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnccc1CBr
InChIInChI=1S/C7H5BrF3N/c8-3-5-1-2-12-4-6(5)7(9,10)11/h1-2,4H,3H2
InChIKeyKRKNEDBXRIWMOF-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008772
3-(bromomethyl)-4-phenyl-5-(trifluoromethyl)pyridine
CID 133098043
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
3-(3-chloropropyl)-4-(trifluoromethyl)pyridine
CID 102708951
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
[4-(bromomethyl)-3-pyridinyl]methanol
CID 139484815
3-(2-bromoethoxy)-4-(trifluoromethyl)pyridine
CID 121418428
3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine
CID 169475829
4-(3-methylbutan-2-yl)-3-(trifluoromethyl)pyridine
CID 170214219
4-(bromomethyl)-3-propan-2-ylpyridine
CID 131699764
[1-[[3-(trifluoromethyl)-4-pyridinyl]methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146195478
3-heptyl-4-(trifluoromethyl)pyridine
CID 130384281

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-(bromomethyl)-3-(trifluoromethyl)pyridine (CID 118704049) is 4-(bromomethyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(bromomethyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(bromomethyl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cnccc1CBr.
What is the InChIKey of 4-(bromomethyl)-3-(trifluoromethyl)pyridine?
The InChIKey is KRKNEDBXRIWMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c8-3-5-1-2-12-4-6(5)7(9,10)11/h1-2,4H,3H2.
What are the key properties of 4-(bromomethyl)-3-(trifluoromethyl)pyridine?
4-(bromomethyl)-3-(trifluoromethyl)pyridine has a molecular weight of 240.02 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 118704049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).