5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine

C13H9FN2S — CID 115113662

IUPAC5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2cc3ccc(F)cc3s2)cn1
InChIInChI=1S/C13H9FN2S/c14-10-3-1-8-5-11(17-12(8)6-10)9-2-4-13(15)16-7-9/h1-7H,(H2,15,16)
InChIKeyXJKYFMSWQPVQEO-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.68
Rot. Bonds1

About 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine

5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine (PubChem CID 115113662) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine
PubChem CID115113662
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine
SMILESNc1ccc(-c2cc3ccc(F)cc3s2)cn1
InChIInChI=1S/C13H9FN2S/c14-10-3-1-8-5-11(17-12(8)6-10)9-2-4-13(15)16-7-9/h1-7H,(H2,15,16)
InChIKeyXJKYFMSWQPVQEO-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine?
The IUPAC name of 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine (CID 115113662) is 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine is Nc1ccc(-c2cc3ccc(F)cc3s2)cn1.
What is the InChIKey of 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine?
The InChIKey is XJKYFMSWQPVQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c14-10-3-1-8-5-11(17-12(8)6-10)9-2-4-13(15)16-7-9/h1-7H,(H2,15,16).
What are the key properties of 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine?
5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine has a molecular weight of 244.29 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1-benzothiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 115113662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).