boric acid;2-(iodomethyl)-1H-indole

C9H11BINO3 — CID 174056153

IUPACboric acid;2-(iodomethyl)-1H-indole
SMILESICc1cc2ccccc2[nH]1.OB(O)O
InChIInChI=1S/C9H8IN.BH3O3/c10-6-8-5-7-3-1-2-4-9(7)11-8;2-1(3)4/h1-5,11H,6H2;2-4H
InChIKeyJECAYIUIJFYROR-UHFFFAOYSA-N
MW318.91 g/mol
LogP1.05
Rot. Bonds1

About boric acid;2-(iodomethyl)-1H-indole

boric acid;2-(iodomethyl)-1H-indole (PubChem CID 174056153) has the molecular formula C9H11BINO3 and a molecular weight of 318.91 g/mol. Its IUPAC name is boric acid;2-(iodomethyl)-1H-indole.

Molecular Properties

Compound Nameboric acid;2-(iodomethyl)-1H-indole
PubChem CID174056153
Molecular FormulaC9H11BINO3
Molecular Weight318.91 g/mol
Exact Mass318.99
IUPAC Nameboric acid;2-(iodomethyl)-1H-indole
SMILESICc1cc2ccccc2[nH]1.OB(O)O
InChIInChI=1S/C9H8IN.BH3O3/c10-6-8-5-7-3-1-2-4-9(7)11-8;2-1(3)4/h1-5,11H,6H2;2-4H
InChIKeyJECAYIUIJFYROR-UHFFFAOYSA-N
XLogP1.05
TPSA76.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.91
LogP ≤ 51.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-2-yl)prop-1-en-1-ol
CID 67309346
4-(1H-indol-2-yl)butylboronic acid
CID 67682562
2-(2-fluoroethyl)-1H-indole
CID 142633825
2-(1H-indol-2-yl)ethanamine;hydroiodide
CID 175201769
N-[2-(1H-indol-2-yl)ethylidene]hydroxylamine
CID 87248859
N'-hydroxy-2-(1H-indol-2-yl)ethanimidamide
CID 119086971
4-(1H-indol-2-yl)butan-2-one
CID 10954278
1H-indol-2-ylmethylcarbamic acid
CID 68691362
2-(1H-indol-2-yl)-1-phenylethanol
CID 102199311
2-(3-chloropropyl)-1H-indole
CID 13271043
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
2-azaniumyl-3-(1H-indol-2-yl)propanoate
CID 23278059

Frequently Asked Questions

What is the IUPAC name of boric acid;2-(iodomethyl)-1H-indole?
The IUPAC name of boric acid;2-(iodomethyl)-1H-indole (CID 174056153) is boric acid;2-(iodomethyl)-1H-indole.
What is the SMILES notation for boric acid;2-(iodomethyl)-1H-indole?
The canonical SMILES for boric acid;2-(iodomethyl)-1H-indole is ICc1cc2ccccc2[nH]1.OB(O)O.
What is the InChIKey of boric acid;2-(iodomethyl)-1H-indole?
The InChIKey is JECAYIUIJFYROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN.BH3O3/c10-6-8-5-7-3-1-2-4-9(7)11-8;2-1(3)4/h1-5,11H,6H2;2-4H.
What are the key properties of boric acid;2-(iodomethyl)-1H-indole?
boric acid;2-(iodomethyl)-1H-indole has a molecular weight of 318.91 g/mol, XLogP of 1.05, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;2-(iodomethyl)-1H-indole is sourced from PubChem (CID 174056153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).