(2,6-dichlorophenyl)boronic acid

C6H5BCl2O2 — CID 2734332

IUPAC(2,6-dichlorophenyl)boronic acid
SMILESOB(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C6H5BCl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChIKeyCXDPUSMFYPQXCV-UHFFFAOYSA-N
MW190.82 g/mol
LogP0.67
Rot. Bonds1

About (2,6-dichlorophenyl)boronic acid

(2,6-dichlorophenyl)boronic acid (PubChem CID 2734332) has the molecular formula C6H5BCl2O2 and a molecular weight of 190.82 g/mol. Its IUPAC name is (2,6-dichlorophenyl)boronic acid.

Molecular Properties

Compound Name(2,6-dichlorophenyl)boronic acid
PubChem CID2734332
Molecular FormulaC6H5BCl2O2
Molecular Weight190.82 g/mol
Exact Mass189.98
IUPAC Name(2,6-dichlorophenyl)boronic acid
SMILESOB(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C6H5BCl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChIKeyCXDPUSMFYPQXCV-UHFFFAOYSA-N
XLogP0.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.82
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,6-dichlorophenyl)boronic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2-chloro-6-methylsulfanylphenyl)boronic acid
CID 151722806
(2-chloro-6-fluorophenyl)-dimethylborane
CID 67978449
(2,6-dichloro-4-methylphenyl)boronic acid
CID 57497248
(5-chloro-2-methoxynaphthalen-1-yl)boronic acid
CID 168880110
(2,6-dichloro-3-methoxyphenyl)boronic acid
CID 57497288
(2-chlorophenyl)-ethynylborinic acid
CID 66935417
(3-chloro-1-hydroxynaphthalen-2-yl)boronic acid
CID 162734827
(3-chloro-2-hydroxynaphthalen-1-yl)boronic acid
CID 172762797
(7-chloro-1H-indol-2-yl)boronic acid
CID 67313374
1,3-dichloro-2-ethynylbenzene
CID 22271730
bis(2,6-dichlorophenolate);titanium(4+);dichloride
CID 100950871
(5-chloroisoquinolin-4-yl)boronic acid
CID 156697434

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)boronic acid?
The IUPAC name of (2,6-dichlorophenyl)boronic acid (CID 2734332) is (2,6-dichlorophenyl)boronic acid.
What is the SMILES notation for (2,6-dichlorophenyl)boronic acid?
The canonical SMILES for (2,6-dichlorophenyl)boronic acid is OB(O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)boronic acid?
The InChIKey is CXDPUSMFYPQXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BCl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H.
What are the key properties of (2,6-dichlorophenyl)boronic acid?
(2,6-dichlorophenyl)boronic acid has a molecular weight of 190.82 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)boronic acid is sourced from PubChem (CID 2734332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).