1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol

C12H11BrFNOS — CID 83125408

IUPAC1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1cc(Br)cs1)c1ccc(F)cn1
InChIInChI=1S/C12H11BrFNOS/c1-12(16,5-10-4-8(13)7-17-10)11-3-2-9(14)6-15-11/h2-4,6-7,16H,5H2,1H3
InChIKeyJUGFKTXXYGBEMV-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.49
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol

1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol (PubChem CID 83125408) has the molecular formula C12H11BrFNOS and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
PubChem CID83125408
Molecular FormulaC12H11BrFNOS
Molecular Weight316.20 g/mol
Exact Mass314.97
IUPAC Name1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(O)(Cc1cc(Br)cs1)c1ccc(F)cn1
InChIInChI=1S/C12H11BrFNOS/c1-12(16,5-10-4-8(13)7-17-10)11-3-2-9(14)6-15-11/h2-4,6-7,16H,5H2,1H3
InChIKeyJUGFKTXXYGBEMV-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 238325
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CID 53193339
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CID 140304344
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CID 140304422
CID 140304422
CID 140304668
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CID 141423751
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CID 141549912
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CID 162511527
CID 162511527
CID 162511603
CID 162511603
CID 134869280
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CID 134970052
CID 134970052

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol (CID 83125408) is 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol is CC(O)(Cc1cc(Br)cs1)c1ccc(F)cn1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
The InChIKey is JUGFKTXXYGBEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNOS/c1-12(16,5-10-4-8(13)7-17-10)11-3-2-9(14)6-15-11/h2-4,6-7,16H,5H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol?
1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol has a molecular weight of 316.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-(5-fluoro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 83125408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).