1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol

C12H11ClFNOS — CID 114080689

IUPAC1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)s1)c1cncc(F)c1
InChIInChI=1S/C12H11ClFNOS/c1-12(16,5-10-2-3-11(13)17-10)8-4-9(14)7-15-6-8/h2-4,6-7,16H,5H2,1H3
InChIKeyVGVXWUPPURKIKW-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.39
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol

1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol (PubChem CID 114080689) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol
PubChem CID114080689
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1ccc(Cl)s1)c1cncc(F)c1
InChIInChI=1S/C12H11ClFNOS/c1-12(16,5-10-2-3-11(13)17-10)8-4-9(14)7-15-6-8/h2-4,6-7,16H,5H2,1H3
InChIKeyVGVXWUPPURKIKW-UHFFFAOYSA-N
XLogP3.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Chlorophenyl)-(2-chloro-1,3-thiazol-5-yl)-pyridin-3-ylmethanol
CID 56658919
(4-Chloro-2-fluorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
CID 56662427
(4-Chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol
CID 56665868
(4-Chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
CID 56679338
(4-Chlorophenyl)-pyridin-3-yl-(1,3-thiazol-5-yl)methanol
CID 56682527
1-(Pyridin-3-yl)-2-(thiophen-2-yl)propan-2-ol
CID 238325
2-Chloropyridin-3-yl-thiophen-2-yl-methanol
CID 23284530
(4-Chlorophenyl)-(5-methylthiophen-2-yl)-pyridin-3-ylmethanol
CID 56665590
(4-Chlorophenyl)-(3-methylthiophen-2-yl)-pyridin-3-ylmethanol
CID 56665737
(2-Chlorophenyl)-pyridin-3-yl-thiophen-2-ylmethanol
CID 56669296
(4-Chlorophenyl)-(3-chlorothiophen-2-yl)-pyridin-3-ylmethanol
CID 56672228
(2-Chlorophenyl)-pyridin-3-yl-thiophen-3-ylmethanol
CID 56672368

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol (CID 114080689) is 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol is CC(O)(Cc1ccc(Cl)s1)c1cncc(F)c1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol?
The InChIKey is VGVXWUPPURKIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c1-12(16,5-10-2-3-11(13)17-10)8-4-9(14)7-15-6-8/h2-4,6-7,16H,5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol?
1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol has a molecular weight of 271.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 114080689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).