N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine

C13H9FN2S — CID 19360161

IUPACN-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine
SMILESFc1ccc2c(Nc3ccncc3)csc2c1
InChIInChI=1S/C13H9FN2S/c14-9-1-2-11-12(8-17-13(11)7-9)16-10-3-5-15-6-4-10/h1-8H,(H,15,16)
InChIKeyFQUYLIYRZNEEHQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.18
Rot. Bonds2

About N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine

N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine (PubChem CID 19360161) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine
PubChem CID19360161
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC NameN-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine
SMILESFc1ccc2c(Nc3ccncc3)csc2c1
InChIInChI=1S/C13H9FN2S/c14-9-1-2-11-12(8-17-13(11)7-9)16-10-3-5-15-6-4-10/h1-8H,(H,15,16)
InChIKeyFQUYLIYRZNEEHQ-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine?
The IUPAC name of N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine (CID 19360161) is N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine.
What is the SMILES notation for N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine?
The canonical SMILES for N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine is Fc1ccc2c(Nc3ccncc3)csc2c1.
What is the InChIKey of N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine?
The InChIKey is FQUYLIYRZNEEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c14-9-1-2-11-12(8-17-13(11)7-9)16-10-3-5-15-6-4-10/h1-8H,(H,15,16).
What are the key properties of N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine?
N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine has a molecular weight of 244.29 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1-benzothiophen-3-yl)pyridin-4-amine is sourced from PubChem (CID 19360161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).