(7-chloro-1H-indol-2-yl)boronic acid

C8H7BClNO2 — CID 67313374

IUPAC(7-chloro-1H-indol-2-yl)boronic acid
SMILESOB(O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C8H7BClNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11-13H
InChIKeyDQFSRUSDRGKTOG-UHFFFAOYSA-N
MW195.41 g/mol
LogP0.50
Rot. Bonds1

About (7-chloro-1H-indol-2-yl)boronic acid

(7-chloro-1H-indol-2-yl)boronic acid (PubChem CID 67313374) has the molecular formula C8H7BClNO2 and a molecular weight of 195.41 g/mol. Its IUPAC name is (7-chloro-1H-indol-2-yl)boronic acid.

Molecular Properties

Compound Name(7-chloro-1H-indol-2-yl)boronic acid
PubChem CID67313374
Molecular FormulaC8H7BClNO2
Molecular Weight195.41 g/mol
Exact Mass195.03
IUPAC Name(7-chloro-1H-indol-2-yl)boronic acid
SMILESOB(O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C8H7BClNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11-13H
InChIKeyDQFSRUSDRGKTOG-UHFFFAOYSA-N
XLogP0.50
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.41
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 (7-chloro-1H-indol-2-yl)boronic acid?
The IUPAC name of (7-chloro-1H-indol-2-yl)boronic acid (CID 67313374) is (7-chloro-1H-indol-2-yl)boronic acid.
What is the SMILES notation for (7-chloro-1H-indol-2-yl)boronic acid?
The canonical SMILES for (7-chloro-1H-indol-2-yl)boronic acid is OB(O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of (7-chloro-1H-indol-2-yl)boronic acid?
The InChIKey is DQFSRUSDRGKTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BClNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11-13H.
What are the key properties of (7-chloro-1H-indol-2-yl)boronic acid?
(7-chloro-1H-indol-2-yl)boronic acid has a molecular weight of 195.41 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1H-indol-2-yl)boronic acid is sourced from PubChem (CID 67313374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).