3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol

C16H15FN2OS — CID 81106133

IUPAC3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol
SMILESNCC(c1cccnc1)C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H15FN2OS/c17-12-4-3-10-6-15(21-14(10)7-12)16(20)13(8-18)11-2-1-5-19-9-11/h1-7,9,13,16,20H,8,18H2
InChIKeyQZHJFWFKHGKZSL-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.21
Rot. Bonds4

About 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol

3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol (PubChem CID 81106133) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol
PubChem CID81106133
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol
SMILESNCC(c1cccnc1)C(O)c1cc2ccc(F)cc2s1
InChIInChI=1S/C16H15FN2OS/c17-12-4-3-10-6-15(21-14(10)7-12)16(20)13(8-18)11-2-1-5-19-9-11/h1-7,9,13,16,20H,8,18H2
InChIKeyQZHJFWFKHGKZSL-UHFFFAOYSA-N
XLogP3.21
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol (CID 81106133) is 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol is NCC(c1cccnc1)C(O)c1cc2ccc(F)cc2s1.
What is the InChIKey of 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol?
The InChIKey is QZHJFWFKHGKZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2OS/c17-12-4-3-10-6-15(21-14(10)7-12)16(20)13(8-18)11-2-1-5-19-9-11/h1-7,9,13,16,20H,8,18H2.
What are the key properties of 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol?
3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol has a molecular weight of 302.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-fluoro-1-benzothiophen-2-yl)-2-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 81106133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).