2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine

C25H17BrF3N — CID 21333348

IUPAC2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccc(Br)nc1
InChIInChI=1S/C25H17BrF3N/c26-23-16-15-20(17-30-23)24(18-9-3-1-4-10-18,19-11-5-2-6-12-19)21-13-7-8-14-22(21)25(27,28)29/h1-17H
InChIKeyNOAPYUVQMOVQBT-UHFFFAOYSA-N
MW468.32 g/mol
LogP7.25
Rot. Bonds4

About 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine

2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 21333348) has the molecular formula C25H17BrF3N and a molecular weight of 468.32 g/mol. Its IUPAC name is 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID21333348
Molecular FormulaC25H17BrF3N
Molecular Weight468.32 g/mol
Exact Mass467.05
IUPAC Name2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccc(Br)nc1
InChIInChI=1S/C25H17BrF3N/c26-23-16-15-20(17-30-23)24(18-9-3-1-4-10-18,19-11-5-2-6-12-19)21-13-7-8-14-22(21)25(27,28)29/h1-17H
InChIKeyNOAPYUVQMOVQBT-UHFFFAOYSA-N
XLogP7.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.32
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine (CID 21333348) is 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine is FC(F)(F)c1ccccc1C(c1ccccc1)(c1ccccc1)c1ccc(Br)nc1.
What is the InChIKey of 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is NOAPYUVQMOVQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrF3N/c26-23-16-15-20(17-30-23)24(18-9-3-1-4-10-18,19-11-5-2-6-12-19)21-13-7-8-14-22(21)25(27,28)29/h1-17H.
What are the key properties of 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine?
2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 468.32 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[diphenyl-[2-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 21333348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).