2-benzyl-3-(trifluoromethyl)pyridine

C13H10F3N — CID 58230279

IUPAC2-benzyl-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1Cc1ccccc1
InChIInChI=1S/C13H10F3N/c14-13(15,16)11-7-4-8-17-12(11)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyANLUCXFNSSCMSG-UHFFFAOYSA-N
MW237.22 g/mol
LogP3.69
Rot. Bonds2

About 2-benzyl-3-(trifluoromethyl)pyridine

2-benzyl-3-(trifluoromethyl)pyridine (PubChem CID 58230279) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-benzyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-benzyl-3-(trifluoromethyl)pyridine
PubChem CID58230279
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name2-benzyl-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccnc1Cc1ccccc1
InChIInChI=1S/C13H10F3N/c14-13(15,16)11-7-4-8-17-12(11)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyANLUCXFNSSCMSG-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-benzyl-3-(trifluoromethyl)pyridine (CID 58230279) is 2-benzyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-benzyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-benzyl-3-(trifluoromethyl)pyridine is FC(F)(F)c1cccnc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3-(trifluoromethyl)pyridine?
The InChIKey is ANLUCXFNSSCMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-13(15,16)11-7-4-8-17-12(11)9-10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-benzyl-3-(trifluoromethyl)pyridine?
2-benzyl-3-(trifluoromethyl)pyridine has a molecular weight of 237.22 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 58230279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).