5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine

C13H9BrF3N — CID 135044835

IUPAC5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1cccc(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C13H9BrF3N/c14-11-4-5-12(18-8-11)7-9-2-1-3-10(6-9)13(15,16)17/h1-6,8H,7H2
InChIKeyKNCJHUCWTGJLPG-UHFFFAOYSA-N
MW316.12 g/mol
LogP4.45
Rot. Bonds2

About 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine

5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 135044835) has the molecular formula C13H9BrF3N and a molecular weight of 316.12 g/mol. Its IUPAC name is 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID135044835
Molecular FormulaC13H9BrF3N
Molecular Weight316.12 g/mol
Exact Mass314.99
IUPAC Name5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFC(F)(F)c1cccc(Cc2ccc(Br)cn2)c1
InChIInChI=1S/C13H9BrF3N/c14-11-4-5-12(18-8-11)7-9-2-1-3-10(6-9)13(15,16)17/h1-6,8H,7H2
InChIKeyKNCJHUCWTGJLPG-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Norzimelidine
CID 6437872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine (CID 135044835) is 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine is FC(F)(F)c1cccc(Cc2ccc(Br)cn2)c1.
What is the InChIKey of 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is KNCJHUCWTGJLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N/c14-11-4-5-12(18-8-11)7-9-2-1-3-10(6-9)13(15,16)17/h1-6,8H,7H2.
What are the key properties of 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine?
5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 316.12 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 135044835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).