5-(5-bromothiophen-2-yl)pentane-2,3-diol

C9H13BrO2S — CID 83935049

IUPAC5-(5-bromothiophen-2-yl)pentane-2,3-diol
SMILESCC(O)C(O)CCc1ccc(Br)s1
InChIInChI=1S/C9H13BrO2S/c1-6(11)8(12)4-2-7-3-5-9(10)13-7/h3,5-6,8,11-12H,2,4H2,1H3
InChIKeyJYIBIGIBVGCVKB-UHFFFAOYSA-N
MW265.17 g/mol
LogP2.18
Rot. Bonds4

About 5-(5-bromothiophen-2-yl)pentane-2,3-diol

5-(5-bromothiophen-2-yl)pentane-2,3-diol (PubChem CID 83935049) has the molecular formula C9H13BrO2S and a molecular weight of 265.17 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)pentane-2,3-diol
PubChem CID83935049
Molecular FormulaC9H13BrO2S
Molecular Weight265.17 g/mol
Exact Mass263.98
IUPAC Name5-(5-bromothiophen-2-yl)pentane-2,3-diol
SMILESCC(O)C(O)CCc1ccc(Br)s1
InChIInChI=1S/C9H13BrO2S/c1-6(11)8(12)4-2-7-3-5-9(10)13-7/h3,5-6,8,11-12H,2,4H2,1H3
InChIKeyJYIBIGIBVGCVKB-UHFFFAOYSA-N
XLogP2.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.17
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(4-bromopentyl)thiophene
CID 64507800
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
2-[4-(5-bromothiophen-2-yl)butan-2-ylamino]ethanol
CID 83980502
1-(5-bromothiophen-2-yl)-3-methylpentan-2-ol
CID 63718703
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpentanamide
CID 86918398
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
1-[(5-bromothiophen-2-yl)methyl-methylamino]propan-2-ol
CID 62332796
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-(4-propan-2-ylphenyl)ethanol
CID 106046953
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)pentane-2,3-diol?
The IUPAC name of 5-(5-bromothiophen-2-yl)pentane-2,3-diol (CID 83935049) is 5-(5-bromothiophen-2-yl)pentane-2,3-diol.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)pentane-2,3-diol?
The canonical SMILES for 5-(5-bromothiophen-2-yl)pentane-2,3-diol is CC(O)C(O)CCc1ccc(Br)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)pentane-2,3-diol?
The InChIKey is JYIBIGIBVGCVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrO2S/c1-6(11)8(12)4-2-7-3-5-9(10)13-7/h3,5-6,8,11-12H,2,4H2,1H3.
What are the key properties of 5-(5-bromothiophen-2-yl)pentane-2,3-diol?
5-(5-bromothiophen-2-yl)pentane-2,3-diol has a molecular weight of 265.17 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)pentane-2,3-diol is sourced from PubChem (CID 83935049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).