2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine

C15H13FN2S — CID 69044894

IUPAC2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine
SMILESNCCc1cnc(F)cc1-c1cccc2ccsc12
InChIInChI=1S/C15H13FN2S/c16-14-8-13(11(4-6-17)9-18-14)12-3-1-2-10-5-7-19-15(10)12/h1-3,5,7-9H,4,6,17H2
InChIKeyRLUAVXAZRNRYGG-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.60
Rot. Bonds3

About 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine

2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine (PubChem CID 69044894) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine
PubChem CID69044894
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC Name2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine
SMILESNCCc1cnc(F)cc1-c1cccc2ccsc12
InChIInChI=1S/C15H13FN2S/c16-14-8-13(11(4-6-17)9-18-14)12-3-1-2-10-5-7-19-15(10)12/h1-3,5,7-9H,4,6,17H2
InChIKeyRLUAVXAZRNRYGG-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine?
The IUPAC name of 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine (CID 69044894) is 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine is NCCc1cnc(F)cc1-c1cccc2ccsc12.
What is the InChIKey of 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine?
The InChIKey is RLUAVXAZRNRYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c16-14-8-13(11(4-6-17)9-18-14)12-3-1-2-10-5-7-19-15(10)12/h1-3,5,7-9H,4,6,17H2.
What are the key properties of 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine?
2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzothiophen-7-yl)-6-fluoro-3-pyridinyl]ethanamine is sourced from PubChem (CID 69044894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).