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

C18H13F3N2 — CID 73347616

IUPAC2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine
SMILESFC(F)(F)c1cncc(Cc2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C18H13F3N2/c19-18(20,21)16-9-14(10-22-12-16)8-13-6-7-17(23-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2
InChIKeyQLDCQMQOZTWXGF-UHFFFAOYSA-N
MW314.31 g/mol
LogP4.75
Rot. Bonds3

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

2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine (PubChem CID 73347616) has the molecular formula C18H13F3N2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine.

Molecular Properties

Compound Name2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine
PubChem CID73347616
Molecular FormulaC18H13F3N2
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine
SMILESFC(F)(F)c1cncc(Cc2ccc(-c3ccccc3)nc2)c1
InChIInChI=1S/C18H13F3N2/c19-18(20,21)16-9-14(10-22-12-16)8-13-6-7-17(23-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2
InChIKeyQLDCQMQOZTWXGF-UHFFFAOYSA-N
XLogP4.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine?
The IUPAC name of 2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine (CID 73347616) is 2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine.
What is the SMILES notation for 2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine?
The canonical SMILES for 2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine is FC(F)(F)c1cncc(Cc2ccc(-c3ccccc3)nc2)c1.
What is the InChIKey of 2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine?
The InChIKey is QLDCQMQOZTWXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2/c19-18(20,21)16-9-14(10-22-12-16)8-13-6-7-17(23-11-13)15-4-2-1-3-5-15/h1-7,9-12H,8H2.
What are the key properties of 2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine?
2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine has a molecular weight of 314.31 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyridine is sourced from PubChem (CID 73347616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).