[2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid

C12H7BF5NO2 — CID 153320819

IUPAC[2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid
SMILESOB(O)c1ccnc(-c2cccc(F)c2F)c1C(F)(F)F
InChIInChI=1S/C12H7BF5NO2/c14-8-3-1-2-6(10(8)15)11-9(12(16,17)18)7(13(20)21)4-5-19-11/h1-5,20-21H
InChIKeyGFZXOTXJAUCGHT-UHFFFAOYSA-N
MW303.00 g/mol
LogP1.73
Rot. Bonds2

About [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid

[2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid (PubChem CID 153320819) has the molecular formula C12H7BF5NO2 and a molecular weight of 303.00 g/mol. Its IUPAC name is [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid
PubChem CID153320819
Molecular FormulaC12H7BF5NO2
Molecular Weight303.00 g/mol
Exact Mass303.05
IUPAC Name[2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid
SMILESOB(O)c1ccnc(-c2cccc(F)c2F)c1C(F)(F)F
InChIInChI=1S/C12H7BF5NO2/c14-8-3-1-2-6(10(8)15)11-9(12(16,17)18)7(13(20)21)4-5-19-11/h1-5,20-21H
InChIKeyGFZXOTXJAUCGHT-UHFFFAOYSA-N
XLogP1.73
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.00
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]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-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830649
2-(2,3-difluorophenyl)-3-(trifluoromethyl)pyridine
CID 170837725
2-(2,3-difluorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118813601
4-fluoro-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridine
CID 118850193
5-(2,3-difluorophenyl)-1,6-naphthyridine
CID 163316334
2-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118808003
bis[3-fluoro-2-(trifluoromethyl)phenyl]borinic acid
CID 53216380
2-(2,3-difluorophenyl)pyrimidine
CID 22717518
2-[2-(2,3-difluorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118830660
[4-(2,3-difluorophenyl)phenyl]boronic acid
CID 141415338
2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782
2-(2,3-difluorophenyl)-3-nitropyridin-4-amine
CID 69134185

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid?
The IUPAC name of [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid (CID 153320819) is [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid.
What is the SMILES notation for [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid?
The canonical SMILES for [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid is OB(O)c1ccnc(-c2cccc(F)c2F)c1C(F)(F)F.
What is the InChIKey of [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid?
The InChIKey is GFZXOTXJAUCGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BF5NO2/c14-8-3-1-2-6(10(8)15)11-9(12(16,17)18)7(13(20)21)4-5-19-11/h1-5,20-21H.
What are the key properties of [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid?
[2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid has a molecular weight of 303.00 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-difluorophenyl)-3-(trifluoromethyl)-4-pyridinyl]boronic acid is sourced from PubChem (CID 153320819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).