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

C13H14FNOS — CID 112585843

IUPAC2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol
SMILESCCC(O)(Cc1ccsc1)c1ccc(F)cn1
InChIInChI=1S/C13H14FNOS/c1-2-13(16,7-10-5-6-17-9-10)12-4-3-11(14)8-15-12/h3-6,8-9,16H,2,7H2,1H3
InChIKeySQZCMOSBWLMNSW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.12
Rot. Bonds4

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

2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol (PubChem CID 112585843) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol
PubChem CID112585843
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol
SMILESCCC(O)(Cc1ccsc1)c1ccc(F)cn1
InChIInChI=1S/C13H14FNOS/c1-2-13(16,7-10-5-6-17-9-10)12-4-3-11(14)8-15-12/h3-6,8-9,16H,2,7H2,1H3
InChIKeySQZCMOSBWLMNSW-UHFFFAOYSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 115940685
1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585919
1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 114347015
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
1-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylpropan-1-amine
CID 112586080
3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
CID 112585804
6-ethylsulfonyl-3-(5-fluoro-2-pyridinyl)hexan-3-ol
CID 112585907
3-(5-fluoro-2-pyridinyl)-1-thiophen-2-ylpentan-3-ol
CID 112585799
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol
CID 114852677
2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol
CID 112585844
2-(3-bromophenyl)-1-thiophen-3-ylbutan-2-ol
CID 114079207

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol (CID 112585843) is 2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol is CCC(O)(Cc1ccsc1)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol?
The InChIKey is SQZCMOSBWLMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-2-13(16,7-10-5-6-17-9-10)12-4-3-11(14)8-15-12/h3-6,8-9,16H,2,7H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol?
2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 112585843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).