(5-methoxy-1-methylindol-3-yl)boronic acid

C10H12BNO3 — CID 58933386

IUPAC(5-methoxy-1-methylindol-3-yl)boronic acid
SMILESCOc1ccc2c(c1)c(B(O)O)cn2C
InChIInChI=1S/C10H12BNO3/c1-12-6-9(11(13)14)8-5-7(15-2)3-4-10(8)12/h3-6,13-14H,1-2H3
InChIKeyGBXUUAXLAFYBPO-UHFFFAOYSA-N
MW205.02 g/mol
LogP-0.13
Rot. Bonds2

About (5-methoxy-1-methylindol-3-yl)boronic acid

(5-methoxy-1-methylindol-3-yl)boronic acid (PubChem CID 58933386) has the molecular formula C10H12BNO3 and a molecular weight of 205.02 g/mol. Its IUPAC name is (5-methoxy-1-methylindol-3-yl)boronic acid.

Molecular Properties

Compound Name(5-methoxy-1-methylindol-3-yl)boronic acid
PubChem CID58933386
Molecular FormulaC10H12BNO3
Molecular Weight205.02 g/mol
Exact Mass205.09
IUPAC Name(5-methoxy-1-methylindol-3-yl)boronic acid
SMILESCOc1ccc2c(c1)c(B(O)O)cn2C
InChIInChI=1S/C10H12BNO3/c1-12-6-9(11(13)14)8-5-7(15-2)3-4-10(8)12/h3-6,13-14H,1-2H3
InChIKeyGBXUUAXLAFYBPO-UHFFFAOYSA-N
XLogP-0.13
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-methoxy-1-methylindole
CID 67003649
3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol
CID 170875278
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
3-(1,3-dioxolan-2-yl)-5-methoxy-1-methylindole
CID 131009926
5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108277
2-(6-methoxy-1-methyl-4-oxoquinolin-3-yl)prop-2-enoic acid
CID 70510387
ethyl 2-(5-methoxy-1-methylindol-3-yl)-2-oxoacetate
CID 23315285
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
5-methoxy-3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-1-methylindole
CID 177391980
(3S)-3-hydroxy-3-(5-methoxy-1-methylindol-3-yl)-1-methylindol-2-one
CID 164672152
(2S)-4-(5-methoxy-1-methylindol-3-yl)butan-2-amine
CID 96673434

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methylindol-3-yl)boronic acid?
The IUPAC name of (5-methoxy-1-methylindol-3-yl)boronic acid (CID 58933386) is (5-methoxy-1-methylindol-3-yl)boronic acid.
What is the SMILES notation for (5-methoxy-1-methylindol-3-yl)boronic acid?
The canonical SMILES for (5-methoxy-1-methylindol-3-yl)boronic acid is COc1ccc2c(c1)c(B(O)O)cn2C.
What is the InChIKey of (5-methoxy-1-methylindol-3-yl)boronic acid?
The InChIKey is GBXUUAXLAFYBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO3/c1-12-6-9(11(13)14)8-5-7(15-2)3-4-10(8)12/h3-6,13-14H,1-2H3.
What are the key properties of (5-methoxy-1-methylindol-3-yl)boronic acid?
(5-methoxy-1-methylindol-3-yl)boronic acid has a molecular weight of 205.02 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methylindol-3-yl)boronic acid is sourced from PubChem (CID 58933386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).