2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol

C16H15FN2O2S — CID 90044206

IUPAC2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol
SMILESCOc1cc(-c2csc3c(F)cccc23)nc(C(N)CO)c1
InChIInChI=1S/C16H15FN2O2S/c1-21-9-5-14(19-15(6-9)13(18)7-20)11-8-22-16-10(11)3-2-4-12(16)17/h2-6,8,13,20H,7,18H2,1H3
InChIKeyCRIAOBPWETWZKQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.10
Rot. Bonds4

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

2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol (PubChem CID 90044206) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol
PubChem CID90044206
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol
SMILESCOc1cc(-c2csc3c(F)cccc23)nc(C(N)CO)c1
InChIInChI=1S/C16H15FN2O2S/c1-21-9-5-14(19-15(6-9)13(18)7-20)11-8-22-16-10(11)3-2-4-12(16)17/h2-6,8,13,20H,7,18H2,1H3
InChIKeyCRIAOBPWETWZKQ-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-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol?
The IUPAC name of 2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol (CID 90044206) is 2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol.
What is the SMILES notation for 2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol?
The canonical SMILES for 2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol is COc1cc(-c2csc3c(F)cccc23)nc(C(N)CO)c1.
What is the InChIKey of 2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol?
The InChIKey is CRIAOBPWETWZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-21-9-5-14(19-15(6-9)13(18)7-20)11-8-22-16-10(11)3-2-4-12(16)17/h2-6,8,13,20H,7,18H2,1H3.
What are the key properties of 2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol?
2-amino-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-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-2-[6-(7-fluoro-1-benzothiophen-3-yl)-4-methoxy-2-pyridinyl]ethanol is sourced from PubChem (CID 90044206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).