6-fluoro-3-thiophen-3-ylisoquinoline

C13H8FNS — CID 25058374

IUPAC6-fluoro-3-thiophen-3-ylisoquinoline
SMILESFc1ccc2cnc(-c3ccsc3)cc2c1
InChIInChI=1S/C13H8FNS/c14-12-2-1-9-7-15-13(6-11(9)5-12)10-3-4-16-8-10/h1-8H
InChIKeyJZOOALBJQZCLJF-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.10
Rot. Bonds1

About 6-fluoro-3-thiophen-3-ylisoquinoline

6-fluoro-3-thiophen-3-ylisoquinoline (PubChem CID 25058374) has the molecular formula C13H8FNS and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-fluoro-3-thiophen-3-ylisoquinoline.

Molecular Properties

Compound Name6-fluoro-3-thiophen-3-ylisoquinoline
PubChem CID25058374
Molecular FormulaC13H8FNS
Molecular Weight229.28 g/mol
Exact Mass229.04
IUPAC Name6-fluoro-3-thiophen-3-ylisoquinoline
SMILESFc1ccc2cnc(-c3ccsc3)cc2c1
InChIInChI=1S/C13H8FNS/c14-12-2-1-9-7-15-13(6-11(9)5-12)10-3-4-16-8-10/h1-8H
InChIKeyJZOOALBJQZCLJF-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Thienyl)quinoline
CID 251365
3-(3-Thienyl)pyridine
CID 595254
3-(3-Thienyl)quinoline
CID 10242258
3-(2-Thienyl)pyridine
CID 595145
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
2-Fluoro-5-(3-methylthiophen-2-yl)pyridine
CID 11148236
3-(4-Methylthiophen-3-yl)pyridine
CID 11378800
3-(3-Methylthiophen-2-yl)pyridine
CID 23646069
4-(4-(Thiophen-2-yl)benzyl)pyridine
CID 46901783
4-(4-(Thiophen-3-yl)benzyl)pyridine
CID 46901784

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-thiophen-3-ylisoquinoline?
The IUPAC name of 6-fluoro-3-thiophen-3-ylisoquinoline (CID 25058374) is 6-fluoro-3-thiophen-3-ylisoquinoline.
What is the SMILES notation for 6-fluoro-3-thiophen-3-ylisoquinoline?
The canonical SMILES for 6-fluoro-3-thiophen-3-ylisoquinoline is Fc1ccc2cnc(-c3ccsc3)cc2c1.
What is the InChIKey of 6-fluoro-3-thiophen-3-ylisoquinoline?
The InChIKey is JZOOALBJQZCLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNS/c14-12-2-1-9-7-15-13(6-11(9)5-12)10-3-4-16-8-10/h1-8H.
What are the key properties of 6-fluoro-3-thiophen-3-ylisoquinoline?
6-fluoro-3-thiophen-3-ylisoquinoline has a molecular weight of 229.28 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-thiophen-3-ylisoquinoline is sourced from PubChem (CID 25058374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).