2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine

C14H11BrF3N — CID 55162997

IUPAC2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CC(Br)c2ccccc2)nc1
InChIInChI=1S/C14H11BrF3N/c15-13(10-4-2-1-3-5-10)8-12-7-6-11(9-19-12)14(16,17)18/h1-7,9,13H,8H2
InChIKeyYJIUMMFSHNLUSC-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.78
Rot. Bonds3

About 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine

2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine (PubChem CID 55162997) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine
PubChem CID55162997
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(CC(Br)c2ccccc2)nc1
InChIInChI=1S/C14H11BrF3N/c15-13(10-4-2-1-3-5-10)8-12-7-6-11(9-19-12)14(16,17)18/h1-7,9,13H,8H2
InChIKeyYJIUMMFSHNLUSC-UHFFFAOYSA-N
XLogP4.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.78
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

1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 63201095
2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
CID 66455038
1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201539
2-(4-fluorophenyl)-3-[5-(trifluoromethyl)-2-pyridinyl]propanal
CID 174326305
2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]naphthalene-1,4-dione
CID 155392104
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
2-[2-bromo-2-(4-fluorophenyl)ethyl]-5-methylpyridine
CID 66455091
3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 104571555
5-bromo-2-(2-bromo-2-phenylethyl)pyrimidine
CID 63873636
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]pyrimidine
CID 114552962
trans-(1R,2S)-2-phenyl-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropan-1-amine
CID 46868842
[2-(5-bromo-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193872

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine (CID 55162997) is 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(CC(Br)c2ccccc2)nc1.
What is the InChIKey of 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine?
The InChIKey is YJIUMMFSHNLUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-13(10-4-2-1-3-5-10)8-12-7-6-11(9-19-12)14(16,17)18/h1-7,9,13H,8H2.
What are the key properties of 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine?
2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine has a molecular weight of 330.15 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-phenylethyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 55162997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).