(5-methoxy-1H-indol-6-yl)boronic acid

C9H10BNO3 — CID 68543723

IUPAC(5-methoxy-1H-indol-6-yl)boronic acid
SMILESCOc1cc2cc[nH]c2cc1B(O)O
InChIInChI=1S/C9H10BNO3/c1-14-9-4-6-2-3-11-8(6)5-7(9)10(12)13/h2-5,11-13H,1H3
InChIKeyGRPPEITWKHOHMU-UHFFFAOYSA-N
MW191.00 g/mol
LogP-0.14
Rot. Bonds2

About (5-methoxy-1H-indol-6-yl)boronic acid

(5-methoxy-1H-indol-6-yl)boronic acid (PubChem CID 68543723) has the molecular formula C9H10BNO3 and a molecular weight of 191.00 g/mol. Its IUPAC name is (5-methoxy-1H-indol-6-yl)boronic acid.

Molecular Properties

Compound Name(5-methoxy-1H-indol-6-yl)boronic acid
PubChem CID68543723
Molecular FormulaC9H10BNO3
Molecular Weight191.00 g/mol
Exact Mass191.08
IUPAC Name(5-methoxy-1H-indol-6-yl)boronic acid
SMILESCOc1cc2cc[nH]c2cc1B(O)O
InChIInChI=1S/C9H10BNO3/c1-14-9-4-6-2-3-11-8(6)5-7(9)10(12)13/h2-5,11-13H,1H3
InChIKeyGRPPEITWKHOHMU-UHFFFAOYSA-N
XLogP-0.14
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.00
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-methoxy-1H-indol-6-yl)boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-1H-indol-6-yl)boronic acid
CID 119085181
(5-methoxy-1H-indazol-6-yl)boronic acid
CID 99942155
(E)-3-(5-methoxy-1H-indol-6-yl)prop-2-en-1-amine
CID 117290958
1-(5-methoxy-1H-indol-6-yl)cyclohexane-1-carboxylic acid
CID 117435910
2-(5-methoxy-1H-indol-6-yl)piperidin-3-ol
CID 82384374
6,7-dimethoxy-2H-isoquinoline-1-thione
CID 106535905
(3-fluoro-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444916
(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
(2-methoxy-5-methylphenyl)boronic acid
CID 2773485
(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444992
1H-indol-6-ol;6-methoxy-1H-indole
CID 158260625
7-methoxy-1H-indole-5-carboxylic acid
CID 15247554

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-6-yl)boronic acid?
The IUPAC name of (5-methoxy-1H-indol-6-yl)boronic acid (CID 68543723) is (5-methoxy-1H-indol-6-yl)boronic acid.
What is the SMILES notation for (5-methoxy-1H-indol-6-yl)boronic acid?
The canonical SMILES for (5-methoxy-1H-indol-6-yl)boronic acid is COc1cc2cc[nH]c2cc1B(O)O.
What is the InChIKey of (5-methoxy-1H-indol-6-yl)boronic acid?
The InChIKey is GRPPEITWKHOHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BNO3/c1-14-9-4-6-2-3-11-8(6)5-7(9)10(12)13/h2-5,11-13H,1H3.
What are the key properties of (5-methoxy-1H-indol-6-yl)boronic acid?
(5-methoxy-1H-indol-6-yl)boronic acid has a molecular weight of 191.00 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-6-yl)boronic acid is sourced from PubChem (CID 68543723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).