1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol

C12H12FNOS — CID 63992110

IUPAC1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1cncc(F)c1
InChIInChI=1S/C12H12FNOS/c1-8-3-4-16-11(8)12(2,15)9-5-10(13)7-14-6-9/h3-7,15H,1-2H3
InChIKeyHUSMDJNRMQCLLK-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.85
Rot. Bonds2

About 1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol

1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol (PubChem CID 63992110) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
PubChem CID63992110
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
SMILESCc1ccsc1C(C)(O)c1cncc(F)c1
InChIInChI=1S/C12H12FNOS/c1-8-3-4-16-11(8)12(2,15)9-5-10(13)7-14-6-9/h3-7,15H,1-2H3
InChIKeyHUSMDJNRMQCLLK-UHFFFAOYSA-N
XLogP2.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(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
Pyridin-3-yl(thiophen-2-yl)methanol
CID 650499
2-Thiophenemethanol, 5-(3-pyridinyl)-
CID 11816351
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-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol (CID 63992110) is 1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol is Cc1ccsc1C(C)(O)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol?
The InChIKey is HUSMDJNRMQCLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c1-8-3-4-16-11(8)12(2,15)9-5-10(13)7-14-6-9/h3-7,15H,1-2H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol?
1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol has a molecular weight of 237.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 63992110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).