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

C12H12BrNOS — CID 105126288

IUPAC1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)Cc1ccc(Br)cn1
InChIInChI=1S/C12H12BrNOS/c13-10-1-2-11(14-7-10)6-12(15)5-9-3-4-16-8-9/h1-4,7-8,12,15H,5-6H2
InChIKeyFFRKVEOLXWSGFR-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.05
Rot. Bonds4

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

1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 105126288) has the molecular formula C12H12BrNOS and a molecular weight of 298.21 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol
PubChem CID105126288
Molecular FormulaC12H12BrNOS
Molecular Weight298.21 g/mol
Exact Mass296.98
IUPAC Name1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)Cc1ccc(Br)cn1
InChIInChI=1S/C12H12BrNOS/c13-10-1-2-11(14-7-10)6-12(15)5-9-3-4-16-8-9/h1-4,7-8,12,15H,5-6H2
InChIKeyFFRKVEOLXWSGFR-UHFFFAOYSA-N
XLogP3.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-one
CID 105128801
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol
CID 104799944
1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol
CID 105126282
1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
CID 105101095
3-(2,2-dibromoethyl)thiophene
CID 174416053
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
1-(5-bromo-2-pyridinyl)-3,3-dimethylbutan-2-ol
CID 63200943
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245
4,4,4-trifluoro-1-thiophen-3-ylbutan-2-ol
CID 62607844
1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
1-(4-bromo-2-methylphenyl)-2-thiophen-3-ylethanol
CID 63016718

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol (CID 105126288) is 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol is OC(Cc1ccsc1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is FFRKVEOLXWSGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNOS/c13-10-1-2-11(14-7-10)6-12(15)5-9-3-4-16-8-9/h1-4,7-8,12,15H,5-6H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol?
1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 298.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 105126288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).