2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine

C18H10F3NOS — CID 132608407

IUPAC2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine
SMILESFC(F)(F)Sc1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C18H10F3NOS/c19-18(20,21)24-15-9-8-12-11-5-1-2-7-14(11)23-17(12)16(15)13-6-3-4-10-22-13/h1-10H
InChIKeyUANQVLBZCKXKFH-UHFFFAOYSA-N
MW345.35 g/mol
LogP6.26
Rot. Bonds2

About 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine

2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine (PubChem CID 132608407) has the molecular formula C18H10F3NOS and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine
PubChem CID132608407
Molecular FormulaC18H10F3NOS
Molecular Weight345.35 g/mol
Exact Mass345.04
IUPAC Name2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine
SMILESFC(F)(F)Sc1ccc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C18H10F3NOS/c19-18(20,21)24-15-9-8-12-11-5-1-2-7-14(11)23-17(12)16(15)13-6-3-4-10-22-13/h1-10H
InChIKeyUANQVLBZCKXKFH-UHFFFAOYSA-N
XLogP6.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.35
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine (CID 132608407) is 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine is FC(F)(F)Sc1ccc2c(oc3ccccc32)c1-c1ccccn1.
What is the InChIKey of 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine?
The InChIKey is UANQVLBZCKXKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NOS/c19-18(20,21)24-15-9-8-12-11-5-1-2-7-14(11)23-17(12)16(15)13-6-3-4-10-22-13/h1-10H.
What are the key properties of 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine?
2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine has a molecular weight of 345.35 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 132608407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).