2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine

C16H10F5NOS — CID 134365106

IUPAC2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine
SMILESFC(F)(F)C(F)(F)COc1ccc(-c2cc3ccccc3s2)nc1
InChIInChI=1S/C16H10F5NOS/c17-15(18,16(19,20)21)9-23-11-5-6-12(22-8-11)14-7-10-3-1-2-4-13(10)24-14/h1-8H,9H2
InChIKeyXTSAZLRXIVPRFH-UHFFFAOYSA-N
MW359.32 g/mol
LogP5.54
Rot. Bonds4

About 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine

2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine (PubChem CID 134365106) has the molecular formula C16H10F5NOS and a molecular weight of 359.32 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine
PubChem CID134365106
Molecular FormulaC16H10F5NOS
Molecular Weight359.32 g/mol
Exact Mass359.04
IUPAC Name2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine
SMILESFC(F)(F)C(F)(F)COc1ccc(-c2cc3ccccc3s2)nc1
InChIInChI=1S/C16H10F5NOS/c17-15(18,16(19,20)21)9-23-11-5-6-12(22-8-11)14-7-10-3-1-2-4-13(10)24-14/h1-8H,9H2
InChIKeyXTSAZLRXIVPRFH-UHFFFAOYSA-N
XLogP5.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.32
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The IUPAC name of 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine (CID 134365106) is 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine is FC(F)(F)C(F)(F)COc1ccc(-c2cc3ccccc3s2)nc1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
The InChIKey is XTSAZLRXIVPRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5NOS/c17-15(18,16(19,20)21)9-23-11-5-6-12(22-8-11)14-7-10-3-1-2-4-13(10)24-14/h1-8H,9H2.
What are the key properties of 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine?
2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine has a molecular weight of 359.32 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-5-(2,2,3,3,3-pentafluoropropoxy)pyridine is sourced from PubChem (CID 134365106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).