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

C10H7BrFNO2 — CID 150483543

IUPAC2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H7BrFNO2/c11-5-1-2-8-6(3-5)7(4-13-8)9(12)10(14)15/h1-4,9,13H,(H,14,15)
InChIKeyHUIFOKPBVLUVFK-UHFFFAOYSA-N
MW272.07 g/mol
LogP3.03
Rot. Bonds2

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

2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid (PubChem CID 150483543) has the molecular formula C10H7BrFNO2 and a molecular weight of 272.07 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid
PubChem CID150483543
Molecular FormulaC10H7BrFNO2
Molecular Weight272.07 g/mol
Exact Mass270.96
IUPAC Name2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H7BrFNO2/c11-5-1-2-8-6(3-5)7(4-13-8)9(12)10(14)15/h1-4,9,13H,(H,14,15)
InChIKeyHUIFOKPBVLUVFK-UHFFFAOYSA-N
XLogP3.03
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid (CID 150483543) is 2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid is O=C(O)C(F)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid?
The InChIKey is HUIFOKPBVLUVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO2/c11-5-1-2-8-6(3-5)7(4-13-8)9(12)10(14)15/h1-4,9,13H,(H,14,15).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid?
2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid has a molecular weight of 272.07 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 150483543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).