2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine

C13H9FN2S — CID 115113755

IUPAC2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine
SMILESNc1ccnc(-c2cc3cccc(F)c3s2)c1
InChIInChI=1S/C13H9FN2S/c14-10-3-1-2-8-6-12(17-13(8)10)11-7-9(15)4-5-16-11/h1-7H,(H2,15,16)
InChIKeyABRDMPMMUNAWFV-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.68
Rot. Bonds1

About 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine

2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine (PubChem CID 115113755) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine
PubChem CID115113755
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine
SMILESNc1ccnc(-c2cc3cccc(F)c3s2)c1
InChIInChI=1S/C13H9FN2S/c14-10-3-1-2-8-6-12(17-13(8)10)11-7-9(15)4-5-16-11/h1-7H,(H2,15,16)
InChIKeyABRDMPMMUNAWFV-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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Related Compounds

2-(7-fluoro-1-benzothiophen-2-yl)pyridine-4-carboxylic acid
CID 115113761
2-(4-methyl-1-benzothiophen-2-yl)pyridin-4-amine
CID 115113984
2-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)pyridin-4-amine
CID 132552646
tris(2-(4-amino-2-pyridinyl)pyridin-4-amine);ruthenium(2+);dichloride
CID 154703049
2-pyridin-2-ylpyridin-4-amine
CID 1236680
5-(7-fluoro-1-benzothiophen-2-yl)-1H-pyrazole-3-carboxylic acid
CID 115109826
2,6-bis(4-amino-2-pyridinyl)pyridin-4-amine
CID 69016245
6-(7-methoxy-1-benzothiophen-2-yl)pyridin-3-amine
CID 115110710
3-(7-fluoro-1-benzothiophen-2-yl)benzaldehyde
CID 122476770
2-(4-fluoro-1-benzothiophen-2-yl)pyridine
CID 102139061
1-(7-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268595
5-[3-(7-fluoro-1-benzothiophen-2-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122477871

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine?
The IUPAC name of 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine (CID 115113755) is 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine.
What is the SMILES notation for 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine?
The canonical SMILES for 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine is Nc1ccnc(-c2cc3cccc(F)c3s2)c1.
What is the InChIKey of 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine?
The InChIKey is ABRDMPMMUNAWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c14-10-3-1-2-8-6-12(17-13(8)10)11-7-9(15)4-5-16-11/h1-7H,(H2,15,16).
What are the key properties of 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine?
2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-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 2-(7-fluoro-1-benzothiophen-2-yl)pyridin-4-amine is sourced from PubChem (CID 115113755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).