1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol

C12H12FNOS — CID 79721907

IUPAC1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1ccc(F)cn1
InChIInChI=1S/C12H12FNOS/c13-9-3-5-11(14-8-9)12(15)6-4-10-2-1-7-16-10/h1-3,5,7-8,12,15H,4,6H2
InChIKeyLHQHJBGGNQTTIT-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.95
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol

1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 79721907) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol
PubChem CID79721907
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1ccc(F)cn1
InChIInChI=1S/C12H12FNOS/c13-9-3-5-11(14-8-9)12(15)6-4-10-2-1-7-16-10/h1-3,5,7-8,12,15H,4,6H2
InChIKeyLHQHJBGGNQTTIT-UHFFFAOYSA-N
XLogP2.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol (CID 79721907) is 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is LHQHJBGGNQTTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-9-3-5-11(14-8-9)12(15)6-4-10-2-1-7-16-10/h1-3,5,7-8,12,15H,4,6H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol?
1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 79721907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).