3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine

C14H8F3NO — CID 164668560

IUPAC3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine
SMILESFC(F)(F)c1c(-c2cccnc2)oc2ccccc12
InChIInChI=1S/C14H8F3NO/c15-14(16,17)12-10-5-1-2-6-11(10)19-13(12)9-4-3-7-18-8-9/h1-8H
InChIKeyLBUXZEXKIGNGAB-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.51
Rot. Bonds1

About 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine

3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine (PubChem CID 164668560) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine
PubChem CID164668560
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine
SMILESFC(F)(F)c1c(-c2cccnc2)oc2ccccc12
InChIInChI=1S/C14H8F3NO/c15-14(16,17)12-10-5-1-2-6-11(10)19-13(12)9-4-3-7-18-8-9/h1-8H
InChIKeyLBUXZEXKIGNGAB-UHFFFAOYSA-N
XLogP4.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine?
The IUPAC name of 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine (CID 164668560) is 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine.
What is the SMILES notation for 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine?
The canonical SMILES for 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine is FC(F)(F)c1c(-c2cccnc2)oc2ccccc12.
What is the InChIKey of 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine?
The InChIKey is LBUXZEXKIGNGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-14(16,17)12-10-5-1-2-6-11(10)19-13(12)9-4-3-7-18-8-9/h1-8H.
What are the key properties of 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine?
3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine has a molecular weight of 263.22 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)-1-benzofuran-2-yl]pyridine is sourced from PubChem (CID 164668560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).