(6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid

C8H7BFNO3 — CID 175497538

IUPAC(6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid
SMILESOB(O)c1cc(F)cc2c[nH]c(O)c12
InChIInChI=1S/C8H7BFNO3/c10-5-1-4-3-11-8(12)7(4)6(2-5)9(13)14/h1-3,11-14H
InChIKeyKFVFERUEXCVVOW-UHFFFAOYSA-N
MW194.96 g/mol
LogP-0.31
Rot. Bonds1

About (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid

(6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid (PubChem CID 175497538) has the molecular formula C8H7BFNO3 and a molecular weight of 194.96 g/mol. Its IUPAC name is (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid.

Molecular Properties

Compound Name(6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid
PubChem CID175497538
Molecular FormulaC8H7BFNO3
Molecular Weight194.96 g/mol
Exact Mass195.05
IUPAC Name(6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid
SMILESOB(O)c1cc(F)cc2c[nH]c(O)c12
InChIInChI=1S/C8H7BFNO3/c10-5-1-4-3-11-8(12)7(4)6(2-5)9(13)14/h1-3,11-14H
InChIKeyKFVFERUEXCVVOW-UHFFFAOYSA-N
XLogP-0.31
TPSA76.48 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.96
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
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 (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid?
The IUPAC name of (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid (CID 175497538) is (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid.
What is the SMILES notation for (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid?
The canonical SMILES for (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid is OB(O)c1cc(F)cc2c[nH]c(O)c12.
What is the InChIKey of (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid?
The InChIKey is KFVFERUEXCVVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BFNO3/c10-5-1-4-3-11-8(12)7(4)6(2-5)9(13)14/h1-3,11-14H.
What are the key properties of (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid?
(6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid has a molecular weight of 194.96 g/mol, XLogP of -0.31, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-hydroxy-2H-isoindol-4-yl)boronic acid is sourced from PubChem (CID 175497538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).