2-(1,3-oxaborol-5-yloxy)benzonitrile

C10H6BNO2 — CID 68792372

IUPAC2-(1,3-oxaborol-5-yloxy)benzonitrile
SMILESN#Cc1ccccc1Oc1cbco1
InChIInChI=1S/C10H6BNO2/c12-6-8-3-1-2-4-9(8)14-10-5-11-7-13-10/h1-5,7H
InChIKeyWMESYYLVPRBQBG-UHFFFAOYSA-N
MW182.97 g/mol
LogP2.28
Rot. Bonds2

About 2-(1,3-oxaborol-5-yloxy)benzonitrile

2-(1,3-oxaborol-5-yloxy)benzonitrile (PubChem CID 68792372) has the molecular formula C10H6BNO2 and a molecular weight of 182.97 g/mol. Its IUPAC name is 2-(1,3-oxaborol-5-yloxy)benzonitrile.

Molecular Properties

Compound Name2-(1,3-oxaborol-5-yloxy)benzonitrile
PubChem CID68792372
Molecular FormulaC10H6BNO2
Molecular Weight182.97 g/mol
Exact Mass183.05
IUPAC Name2-(1,3-oxaborol-5-yloxy)benzonitrile
SMILESN#Cc1ccccc1Oc1cbco1
InChIInChI=1S/C10H6BNO2/c12-6-8-3-1-2-4-9(8)14-10-5-11-7-13-10/h1-5,7H
InChIKeyWMESYYLVPRBQBG-UHFFFAOYSA-N
XLogP2.28
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.97
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,3-oxaborol-5-yloxy)benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxaborol-5-yloxy)benzonitrile?
The IUPAC name of 2-(1,3-oxaborol-5-yloxy)benzonitrile (CID 68792372) is 2-(1,3-oxaborol-5-yloxy)benzonitrile.
What is the SMILES notation for 2-(1,3-oxaborol-5-yloxy)benzonitrile?
The canonical SMILES for 2-(1,3-oxaborol-5-yloxy)benzonitrile is N#Cc1ccccc1Oc1cbco1.
What is the InChIKey of 2-(1,3-oxaborol-5-yloxy)benzonitrile?
The InChIKey is WMESYYLVPRBQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BNO2/c12-6-8-3-1-2-4-9(8)14-10-5-11-7-13-10/h1-5,7H.
What are the key properties of 2-(1,3-oxaborol-5-yloxy)benzonitrile?
2-(1,3-oxaborol-5-yloxy)benzonitrile has a molecular weight of 182.97 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxaborol-5-yloxy)benzonitrile is sourced from PubChem (CID 68792372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).