2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid

C6H5BrO3S — CID 61345849

IUPAC2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Br)s1
InChIInChI=1S/C6H5BrO3S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2,5,8H,(H,9,10)
InChIKeyHRBDUINNQFZKTF-UHFFFAOYSA-N
MW237.07 g/mol
LogP1.63
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid

2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid (PubChem CID 61345849) has the molecular formula C6H5BrO3S and a molecular weight of 237.07 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid
PubChem CID61345849
Molecular FormulaC6H5BrO3S
Molecular Weight237.07 g/mol
Exact Mass235.91
IUPAC Name2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Br)s1
InChIInChI=1S/C6H5BrO3S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2,5,8H,(H,9,10)
InChIKeyHRBDUINNQFZKTF-UHFFFAOYSA-N
XLogP1.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.07
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)-hydroxymethyl]butanoic acid
CID 62398841
2-(5-bromothiophen-2-yl)pentanoic acid
CID 82091087
6-(5-bromothiophen-2-yl)-6-hydroxyhexanoic acid
CID 61101885
3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2-(methylamino)propanoic acid
CID 116914048
2-hydroxy-2-(1,2-thiazol-5-yl)acetic acid
CID 82415692
2-[(5-bromothiophen-2-yl)-hydroxymethyl]furan-3-carboxylic acid
CID 107432083
2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63702744
2-(5-bromothiophen-2-yl)-3-pyrrolidin-1-ylpropanoic acid
CID 82094855
2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid
CID 115072073
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189
2-(5-bromothiophen-2-yl)propanehydrazide
CID 116843844
1-(5-bromothiophen-2-yl)-2-ethylbutan-1-ol
CID 61081920

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid (CID 61345849) is 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid?
The InChIKey is HRBDUINNQFZKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrO3S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2,5,8H,(H,9,10).
What are the key properties of 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid?
2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid has a molecular weight of 237.07 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 61345849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).