(1-methoxyindol-2-yl)boronic acid

C9H10BNO3 — CID 154056355

IUPAC(1-methoxyindol-2-yl)boronic acid
SMILESCOn1c(B(O)O)cc2ccccc21
InChIInChI=1S/C9H10BNO3/c1-14-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6,12-13H,1H3
InChIKeyBRBUIXCHCRJSFX-UHFFFAOYSA-N
MW191.00 g/mol
LogP-0.62
Rot. Bonds2

About (1-methoxyindol-2-yl)boronic acid

(1-methoxyindol-2-yl)boronic acid (PubChem CID 154056355) has the molecular formula C9H10BNO3 and a molecular weight of 191.00 g/mol. Its IUPAC name is (1-methoxyindol-2-yl)boronic acid.

Molecular Properties

Compound Name(1-methoxyindol-2-yl)boronic acid
PubChem CID154056355
Molecular FormulaC9H10BNO3
Molecular Weight191.00 g/mol
Exact Mass191.08
IUPAC Name(1-methoxyindol-2-yl)boronic acid
SMILESCOn1c(B(O)O)cc2ccccc21
InChIInChI=1S/C9H10BNO3/c1-14-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6,12-13H,1H3
InChIKeyBRBUIXCHCRJSFX-UHFFFAOYSA-N
XLogP-0.62
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methoxyindol-2-yl)boronic acid?
The IUPAC name of (1-methoxyindol-2-yl)boronic acid (CID 154056355) is (1-methoxyindol-2-yl)boronic acid.
What is the SMILES notation for (1-methoxyindol-2-yl)boronic acid?
The canonical SMILES for (1-methoxyindol-2-yl)boronic acid is COn1c(B(O)O)cc2ccccc21.
What is the InChIKey of (1-methoxyindol-2-yl)boronic acid?
The InChIKey is BRBUIXCHCRJSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BNO3/c1-14-11-8-5-3-2-4-7(8)6-9(11)10(12)13/h2-6,12-13H,1H3.
What are the key properties of (1-methoxyindol-2-yl)boronic acid?
(1-methoxyindol-2-yl)boronic acid has a molecular weight of 191.00 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxyindol-2-yl)boronic acid is sourced from PubChem (CID 154056355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).