(2-chloro-5-fluoro-3-methylphenyl)boronic acid

C7H7BClFO2 — CID 124706970

IUPAC(2-chloro-5-fluoro-3-methylphenyl)boronic acid
SMILESCc1cc(F)cc(B(O)O)c1Cl
InChIInChI=1S/C7H7BClFO2/c1-4-2-5(10)3-6(7(4)9)8(11)12/h2-3,11-12H,1H3
InChIKeyKHPUVWYDOOKESR-UHFFFAOYSA-N
MW188.39 g/mol
LogP0.47
Rot. Bonds1

About (2-chloro-5-fluoro-3-methylphenyl)boronic acid

(2-chloro-5-fluoro-3-methylphenyl)boronic acid (PubChem CID 124706970) has the molecular formula C7H7BClFO2 and a molecular weight of 188.39 g/mol. Its IUPAC name is (2-chloro-5-fluoro-3-methylphenyl)boronic acid.

Molecular Properties

Compound Name(2-chloro-5-fluoro-3-methylphenyl)boronic acid
PubChem CID124706970
Molecular FormulaC7H7BClFO2
Molecular Weight188.39 g/mol
Exact Mass188.02
IUPAC Name(2-chloro-5-fluoro-3-methylphenyl)boronic acid
SMILESCc1cc(F)cc(B(O)O)c1Cl
InChIInChI=1S/C7H7BClFO2/c1-4-2-5(10)3-6(7(4)9)8(11)12/h2-3,11-12H,1H3
InChIKeyKHPUVWYDOOKESR-UHFFFAOYSA-N
XLogP0.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.39
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-chloro-5-fluoro-3-methylphenyl)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-5-fluoro-3-methylbenzoic acid
CID 53430534
(2-chloro-3-fluoro-5-methylphenyl)boronic acid
CID 138987174
(2-chloro-5-fluoro-3-methoxycarbonylphenyl)boronic acid
CID 164891137
(2-amino-3-chloro-5-fluorophenyl)boronic acid
CID 167714420
(2,3-dichloro-6-fluoro-4-methylphenyl)boronic acid
CID 131676872
(3-chloro-2-fluoro-4-methylphenyl)boronic acid
CID 134128504
(4-chloro-5-fluoro-2-methylphenyl)boronic acid
CID 118995794
(4-fluoro-2,6-dimethylphenoxy)boronic acid
CID 165388238
N-(4-fluoro-2,6-dimethylphenyl)hydroxylamine
CID 24834488
2-chloro-5-fluoro-3-methylbenzenesulfonamide
CID 119005031
(3-fluoro-5-methylphenyl)boronic acid
CID 19261265
(2,4-dichloro-5-methylphenyl)boronic acid
CID 74888465

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluoro-3-methylphenyl)boronic acid?
The IUPAC name of (2-chloro-5-fluoro-3-methylphenyl)boronic acid (CID 124706970) is (2-chloro-5-fluoro-3-methylphenyl)boronic acid.
What is the SMILES notation for (2-chloro-5-fluoro-3-methylphenyl)boronic acid?
The canonical SMILES for (2-chloro-5-fluoro-3-methylphenyl)boronic acid is Cc1cc(F)cc(B(O)O)c1Cl.
What is the InChIKey of (2-chloro-5-fluoro-3-methylphenyl)boronic acid?
The InChIKey is KHPUVWYDOOKESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BClFO2/c1-4-2-5(10)3-6(7(4)9)8(11)12/h2-3,11-12H,1H3.
What are the key properties of (2-chloro-5-fluoro-3-methylphenyl)boronic acid?
(2-chloro-5-fluoro-3-methylphenyl)boronic acid has a molecular weight of 188.39 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluoro-3-methylphenyl)boronic acid is sourced from PubChem (CID 124706970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).