2-(4-bromo-1H-indol-3-yl)acetic acid

C10H8BrNO2 — CID 13499084

IUPAC2-(4-bromo-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C10H8BrNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKeyAQIDQZFQDRENOY-UHFFFAOYSA-N
MW254.08 g/mol
LogP2.56
Rot. Bonds2

About 2-(4-bromo-1H-indol-3-yl)acetic acid

2-(4-bromo-1H-indol-3-yl)acetic acid (PubChem CID 13499084) has the molecular formula C10H8BrNO2 and a molecular weight of 254.08 g/mol. Its IUPAC name is 2-(4-bromo-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-bromo-1H-indol-3-yl)acetic acid
PubChem CID13499084
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
Exact Mass252.97
IUPAC Name2-(4-bromo-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C10H8BrNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14)
InChIKeyAQIDQZFQDRENOY-UHFFFAOYSA-N
XLogP2.56
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.08
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(4-bromo-1H-indol-3-yl)acetic acid (CID 13499084) is 2-(4-bromo-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(4-bromo-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(4-bromo-1H-indol-3-yl)acetic acid is O=C(O)Cc1c[nH]c2cccc(Br)c12.
What is the InChIKey of 2-(4-bromo-1H-indol-3-yl)acetic acid?
The InChIKey is AQIDQZFQDRENOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2/c11-7-2-1-3-8-10(7)6(5-12-8)4-9(13)14/h1-3,5,12H,4H2,(H,13,14).
What are the key properties of 2-(4-bromo-1H-indol-3-yl)acetic acid?
2-(4-bromo-1H-indol-3-yl)acetic acid has a molecular weight of 254.08 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 13499084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).