2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine

C14H9F2NS — CID 46228237

IUPAC2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine
SMILESFC(F)c1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C14H9F2NS/c15-14(16)12-9-5-1-2-7-11(9)18-13(12)10-6-3-4-8-17-10/h1-8,14H
InChIKeyQNWZJUOVEDTYDU-UHFFFAOYSA-N
MW261.30 g/mol
LogP4.90
Rot. Bonds2

About 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine

2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine (PubChem CID 46228237) has the molecular formula C14H9F2NS and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine
PubChem CID46228237
Molecular FormulaC14H9F2NS
Molecular Weight261.30 g/mol
Exact Mass261.04
IUPAC Name2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine
SMILESFC(F)c1c(-c2ccccn2)sc2ccccc12
InChIInChI=1S/C14H9F2NS/c15-14(16)12-9-5-1-2-7-11(9)18-13(12)10-6-3-4-8-17-10/h1-8,14H
InChIKeyQNWZJUOVEDTYDU-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine?
The IUPAC name of 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine (CID 46228237) is 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine.
What is the SMILES notation for 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine?
The canonical SMILES for 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine is FC(F)c1c(-c2ccccn2)sc2ccccc12.
What is the InChIKey of 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine?
The InChIKey is QNWZJUOVEDTYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NS/c15-14(16)12-9-5-1-2-7-11(9)18-13(12)10-6-3-4-8-17-10/h1-8,14H.
What are the key properties of 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine?
2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine has a molecular weight of 261.30 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-1-benzothiophen-2-yl]pyridine is sourced from PubChem (CID 46228237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).