2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid

C10H7BrO3S — CID 115072073

IUPAC2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C10H7BrO3S/c11-6-1-2-7-5(3-6)4-8(15-7)9(12)10(13)14/h1-4,9,12H,(H,13,14)
InChIKeyWUAUKDPWTSFDGP-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.78
Rot. Bonds2

About 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid

2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid (PubChem CID 115072073) has the molecular formula C10H7BrO3S and a molecular weight of 287.13 g/mol. Its IUPAC name is 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid
PubChem CID115072073
Molecular FormulaC10H7BrO3S
Molecular Weight287.13 g/mol
Exact Mass285.93
IUPAC Name2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C10H7BrO3S/c11-6-1-2-7-5(3-6)4-8(15-7)9(12)10(13)14/h1-4,9,12H,(H,13,14)
InChIKeyWUAUKDPWTSFDGP-UHFFFAOYSA-N
XLogP2.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid (CID 115072073) is 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc2cc(Br)ccc2s1.
What is the InChIKey of 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid?
The InChIKey is WUAUKDPWTSFDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3S/c11-6-1-2-7-5(3-6)4-8(15-7)9(12)10(13)14/h1-4,9,12H,(H,13,14).
What are the key properties of 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid?
2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid has a molecular weight of 287.13 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115072073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).