(2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid

C14H14BBrF2O4 — CID 161123458

IUPAC(2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid
SMILESOCc1cc(F)ccc1B(O)O.OCc1cc(F)ccc1Br
InChIInChI=1S/C7H8BFO3.C7H6BrFO/c9-6-1-2-7(8(11)12)5(3-6)4-10;8-7-2-1-6(9)3-5(7)4-10/h1-3,10-12H,4H2;1-3,10H,4H2
InChIKeyULGDLLLCVHORKK-UHFFFAOYSA-N
MW374.97 g/mol
LogP1.08
Rot. Bonds3

About (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid

(2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid (PubChem CID 161123458) has the molecular formula C14H14BBrF2O4 and a molecular weight of 374.97 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid
PubChem CID161123458
Molecular FormulaC14H14BBrF2O4
Molecular Weight374.97 g/mol
Exact Mass374.01
IUPAC Name(2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid
SMILESOCc1cc(F)ccc1B(O)O.OCc1cc(F)ccc1Br
InChIInChI=1S/C7H8BFO3.C7H6BrFO/c9-6-1-2-7(8(11)12)5(3-6)4-10;8-7-2-1-6(9)3-5(7)4-10/h1-3,10-12H,4H2;1-3,10H,4H2
InChIKeyULGDLLLCVHORKK-UHFFFAOYSA-N
XLogP1.08
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.97
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]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-ethyl-4-fluorophenyl)boronic acid
CID 90206315
[2-(aminomethyl)-4-fluorophenyl]boronic acid;hydrochloride
CID 44886926
5-fluoro-1-hydroxy-3H-2,1-benzoxaborole;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid
CID 159108959
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
[4-[(2-bromo-5-fluorophenyl)methylcarbamoyl]-2-formylphenyl]boronic acid
CID 166430834
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375
[4-fluoro-2-(2,2,2-trifluoroethoxymethyl)phenyl]boronic acid
CID 91758876
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
1-[(2-bromo-5-fluorophenyl)methyl]azepane
CID 146004203
1-[(2-bromo-5-fluorophenyl)methyl]piperidine
CID 137320857
[2-(2-bromo-5-fluorophenoxy)-5-fluoro-3-pyridinyl]methanol
CID 114034713

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid?
The IUPAC name of (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid (CID 161123458) is (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid.
What is the SMILES notation for (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid?
The canonical SMILES for (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid is OCc1cc(F)ccc1B(O)O.OCc1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid?
The InChIKey is ULGDLLLCVHORKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BFO3.C7H6BrFO/c9-6-1-2-7(8(11)12)5(3-6)4-10;8-7-2-1-6(9)3-5(7)4-10/h1-3,10-12H,4H2;1-3,10H,4H2.
What are the key properties of (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid?
(2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid has a molecular weight of 374.97 g/mol, XLogP of 1.08, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)methanol;[4-fluoro-2-(hydroxymethyl)phenyl]boronic acid is sourced from PubChem (CID 161123458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).