2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol

C16H15FN2O2S — CID 90043086

IUPAC2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol
SMILESCOc1ccc(C(O)CN)nc1-c1csc2c(F)cccc12
InChIInChI=1S/C16H15FN2O2S/c1-21-14-6-5-12(13(20)7-18)19-15(14)10-8-22-16-9(10)3-2-4-11(16)17/h2-6,8,13,20H,7,18H2,1H3
InChIKeyDHCDXLWKGOEAKX-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.10
Rot. Bonds4

About 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol

2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol (PubChem CID 90043086) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol
PubChem CID90043086
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol
SMILESCOc1ccc(C(O)CN)nc1-c1csc2c(F)cccc12
InChIInChI=1S/C16H15FN2O2S/c1-21-14-6-5-12(13(20)7-18)19-15(14)10-8-22-16-9(10)3-2-4-11(16)17/h2-6,8,13,20H,7,18H2,1H3
InChIKeyDHCDXLWKGOEAKX-UHFFFAOYSA-N
XLogP3.10
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol?
The IUPAC name of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol (CID 90043086) is 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol.
What is the SMILES notation for 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol?
The canonical SMILES for 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol is COc1ccc(C(O)CN)nc1-c1csc2c(F)cccc12.
What is the InChIKey of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol?
The InChIKey is DHCDXLWKGOEAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-21-14-6-5-12(13(20)7-18)19-15(14)10-8-22-16-9(10)3-2-4-11(16)17/h2-6,8,13,20H,7,18H2,1H3.
What are the key properties of 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol?
2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol has a molecular weight of 318.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]ethanol is sourced from PubChem (CID 90043086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).