[4-cyano-2,3-bis(ethenyl)phenyl]boronic acid

C11H10BNO2 — CID 145379408

IUPAC[4-cyano-2,3-bis(ethenyl)phenyl]boronic acid
SMILESC=Cc1c(C#N)ccc(B(O)O)c1C=C
InChIInChI=1S/C11H10BNO2/c1-3-9-8(7-13)5-6-11(12(14)15)10(9)4-2/h3-6,14-15H,1-2H2
InChIKeyCVCHNCZJTIZNSV-UHFFFAOYSA-N
MW199.02 g/mol
LogP0.52
Rot. Bonds3

About [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid

[4-cyano-2,3-bis(ethenyl)phenyl]boronic acid (PubChem CID 145379408) has the molecular formula C11H10BNO2 and a molecular weight of 199.02 g/mol. Its IUPAC name is [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-cyano-2,3-bis(ethenyl)phenyl]boronic acid
PubChem CID145379408
Molecular FormulaC11H10BNO2
Molecular Weight199.02 g/mol
Exact Mass199.08
IUPAC Name[4-cyano-2,3-bis(ethenyl)phenyl]boronic acid
SMILESC=Cc1c(C#N)ccc(B(O)O)c1C=C
InChIInChI=1S/C11H10BNO2/c1-3-9-8(7-13)5-6-11(12(14)15)10(9)4-2/h3-6,14-15H,1-2H2
InChIKeyCVCHNCZJTIZNSV-UHFFFAOYSA-N
XLogP0.52
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 50.52
H-Bond Donors ≤ 52
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 [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid?
The IUPAC name of [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid (CID 145379408) is [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid.
What is the SMILES notation for [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid?
The canonical SMILES for [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid is C=Cc1c(C#N)ccc(B(O)O)c1C=C.
What is the InChIKey of [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid?
The InChIKey is CVCHNCZJTIZNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BNO2/c1-3-9-8(7-13)5-6-11(12(14)15)10(9)4-2/h3-6,14-15H,1-2H2.
What are the key properties of [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid?
[4-cyano-2,3-bis(ethenyl)phenyl]boronic acid has a molecular weight of 199.02 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyano-2,3-bis(ethenyl)phenyl]boronic acid is sourced from PubChem (CID 145379408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).