(8-fluoroquinolin-3-yl)boronic acid

C9H7BFNO2 — CID 67114195

IUPAC(8-fluoroquinolin-3-yl)boronic acid
SMILESOB(O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C9H7BFNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5,13-14H
InChIKeyHWUTVRYZDFZBJZ-UHFFFAOYSA-N
MW190.97 g/mol
LogP0.05
Rot. Bonds1

About (8-fluoroquinolin-3-yl)boronic acid

(8-fluoroquinolin-3-yl)boronic acid (PubChem CID 67114195) has the molecular formula C9H7BFNO2 and a molecular weight of 190.97 g/mol. Its IUPAC name is (8-fluoroquinolin-3-yl)boronic acid.

Molecular Properties

Compound Name(8-fluoroquinolin-3-yl)boronic acid
PubChem CID67114195
Molecular FormulaC9H7BFNO2
Molecular Weight190.97 g/mol
Exact Mass191.06
IUPAC Name(8-fluoroquinolin-3-yl)boronic acid
SMILESOB(O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C9H7BFNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5,13-14H
InChIKeyHWUTVRYZDFZBJZ-UHFFFAOYSA-N
XLogP0.05
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.97
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Quinoline
CID 7047
6-Methylquinoline
CID 7059
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
3-Methylquinoline
CID 11926
Quinolinaldehyde, oxime
CID 135491058
Quinoline 1-oxide
CID 15366
4-Aminoquinoline
CID 68476
3-Quinolinecarbonitrile
CID 93177
Quinolinium, 1-(phenylmethyl)-, chloride (1:1)
CID 85025
7-Methylquinoline
CID 11927
Quinolinium, 1-ethyl-, iodide (1:1)
CID 69446

Frequently Asked Questions

What is the IUPAC name of (8-fluoroquinolin-3-yl)boronic acid?
The IUPAC name of (8-fluoroquinolin-3-yl)boronic acid (CID 67114195) is (8-fluoroquinolin-3-yl)boronic acid.
What is the SMILES notation for (8-fluoroquinolin-3-yl)boronic acid?
The canonical SMILES for (8-fluoroquinolin-3-yl)boronic acid is OB(O)c1cnc2c(F)cccc2c1.
What is the InChIKey of (8-fluoroquinolin-3-yl)boronic acid?
The InChIKey is HWUTVRYZDFZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BFNO2/c11-8-3-1-2-6-4-7(10(13)14)5-12-9(6)8/h1-5,13-14H.
What are the key properties of (8-fluoroquinolin-3-yl)boronic acid?
(8-fluoroquinolin-3-yl)boronic acid has a molecular weight of 190.97 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoroquinolin-3-yl)boronic acid is sourced from PubChem (CID 67114195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).