2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid

C10H8BrNO3 — CID 117428151

IUPAC2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc2[nH]cc(Br)c2c1
InChIInChI=1S/C10H8BrNO3/c11-7-4-12-8-2-1-5(3-6(7)8)9(13)10(14)15/h1-4,9,12-13H,(H,14,15)
InChIKeyRJZSTVIWNVWXKE-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.05
Rot. Bonds2

About 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid

2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid (PubChem CID 117428151) has the molecular formula C10H8BrNO3 and a molecular weight of 270.08 g/mol. Its IUPAC name is 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid
PubChem CID117428151
Molecular FormulaC10H8BrNO3
Molecular Weight270.08 g/mol
Exact Mass268.97
IUPAC Name2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc2[nH]cc(Br)c2c1
InChIInChI=1S/C10H8BrNO3/c11-7-4-12-8-2-1-5(3-6(7)8)9(13)10(14)15/h1-4,9,12-13H,(H,14,15)
InChIKeyRJZSTVIWNVWXKE-UHFFFAOYSA-N
XLogP2.05
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid (CID 117428151) is 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccc2[nH]cc(Br)c2c1.
What is the InChIKey of 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid?
The InChIKey is RJZSTVIWNVWXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO3/c11-7-4-12-8-2-1-5(3-6(7)8)9(13)10(14)15/h1-4,9,12-13H,(H,14,15).
What are the key properties of 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid?
2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid has a molecular weight of 270.08 g/mol, XLogP of 2.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1H-indol-5-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 117428151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).