2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine

C16H12F3N — CID 158217186

IUPAC2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine
SMILESFC(F)(F)c1ccc2c(c1)C=CC2Cc1ccccn1
InChIInChI=1S/C16H12F3N/c17-16(18,19)13-6-7-15-11(9-13)4-5-12(15)10-14-3-1-2-8-20-14/h1-9,12H,10H2
InChIKeyGCUMCUZIWJAFCW-UHFFFAOYSA-N
MW275.27 g/mol
LogP4.45
Rot. Bonds2

About 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine

2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine (PubChem CID 158217186) has the molecular formula C16H12F3N and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine
PubChem CID158217186
Molecular FormulaC16H12F3N
Molecular Weight275.27 g/mol
Exact Mass275.09
IUPAC Name2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine
SMILESFC(F)(F)c1ccc2c(c1)C=CC2Cc1ccccn1
InChIInChI=1S/C16H12F3N/c17-16(18,19)13-6-7-15-11(9-13)4-5-12(15)10-14-3-1-2-8-20-14/h1-9,12H,10H2
InChIKeyGCUMCUZIWJAFCW-UHFFFAOYSA-N
XLogP4.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine?
The IUPAC name of 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine (CID 158217186) is 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine is FC(F)(F)c1ccc2c(c1)C=CC2Cc1ccccn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine?
The InChIKey is GCUMCUZIWJAFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N/c17-16(18,19)13-6-7-15-11(9-13)4-5-12(15)10-14-3-1-2-8-20-14/h1-9,12H,10H2.
What are the key properties of 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine?
2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine has a molecular weight of 275.27 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 2-[[5-(trifluoromethyl)-1H-inden-1-yl]methyl]pyridine is sourced from PubChem (CID 158217186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).