5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole

C15H11BClNO2 — CID 24966982

IUPAC5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole
SMILESOB1OCc2ccc(-n3ccc4cc(Cl)ccc43)cc21
InChIInChI=1S/C15H11BClNO2/c17-12-2-4-15-10(7-12)5-6-18(15)13-3-1-11-9-20-16(19)14(11)8-13/h1-8,19H,9H2
InChIKeyOASRTCFVUVRBCU-UHFFFAOYSA-N
MW283.52 g/mol
LogP2.50
Rot. Bonds1

About 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole

5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole (PubChem CID 24966982) has the molecular formula C15H11BClNO2 and a molecular weight of 283.52 g/mol. Its IUPAC name is 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole.

Molecular Properties

Compound Name5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole
PubChem CID24966982
Molecular FormulaC15H11BClNO2
Molecular Weight283.52 g/mol
Exact Mass283.06
IUPAC Name5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole
SMILESOB1OCc2ccc(-n3ccc4cc(Cl)ccc43)cc21
InChIInChI=1S/C15H11BClNO2/c17-12-2-4-15-10(7-12)5-6-18(15)13-3-1-11-9-20-16(19)14(11)8-13/h1-8,19H,9H2
InChIKeyOASRTCFVUVRBCU-UHFFFAOYSA-N
XLogP2.50
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.52
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole?
The IUPAC name of 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole (CID 24966982) is 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole.
What is the SMILES notation for 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole?
The canonical SMILES for 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole is OB1OCc2ccc(-n3ccc4cc(Cl)ccc43)cc21.
What is the InChIKey of 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole?
The InChIKey is OASRTCFVUVRBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BClNO2/c17-12-2-4-15-10(7-12)5-6-18(15)13-3-1-11-9-20-16(19)14(11)8-13/h1-8,19H,9H2.
What are the key properties of 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole?
5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole has a molecular weight of 283.52 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)indole is sourced from PubChem (CID 24966982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).