[6-(1-fluoroethenyl)-3-pyridinyl]boronic acid

C7H7BFNO2 — CID 163585917

IUPAC[6-(1-fluoroethenyl)-3-pyridinyl]boronic acid
SMILESC=C(F)c1ccc(B(O)O)cn1
InChIInChI=1S/C7H7BFNO2/c1-5(9)7-3-2-6(4-10-7)8(11)12/h2-4,11-12H,1H2
InChIKeyGLLJDZSCZVISRM-UHFFFAOYSA-N
MW166.95 g/mol
LogP-0.30
Rot. Bonds2

About [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid

[6-(1-fluoroethenyl)-3-pyridinyl]boronic acid (PubChem CID 163585917) has the molecular formula C7H7BFNO2 and a molecular weight of 166.95 g/mol. Its IUPAC name is [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(1-fluoroethenyl)-3-pyridinyl]boronic acid
PubChem CID163585917
Molecular FormulaC7H7BFNO2
Molecular Weight166.95 g/mol
Exact Mass167.06
IUPAC Name[6-(1-fluoroethenyl)-3-pyridinyl]boronic acid
SMILESC=C(F)c1ccc(B(O)O)cn1
InChIInChI=1S/C7H7BFNO2/c1-5(9)7-3-2-6(4-10-7)8(11)12/h2-4,11-12H,1H2
InChIKeyGLLJDZSCZVISRM-UHFFFAOYSA-N
XLogP-0.30
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.95
LogP ≤ 5-0.30
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

(6-fluoro-3-pyridinyl)boronic acid
CID 2783397
[6-[(Z)-N'-hydroxycarbamimidoyl]-3-pyridinyl]boronic acid
CID 168994832
[6-[2-(5-borono-2-pyridinyl)ethynyl]-3-pyridinyl]boronic acid
CID 50901462
[6-(1-hydroxyethyl)-3-pyridinyl]boronic acid
CID 67969224
[6-[fluoro(iodo)methoxy]-3-pyridinyl]boronic acid
CID 68628953
[6-(dimethoxymethyl)-3-pyridinyl]boronic acid
CID 130141860
[6-(2-methylpropyl)-3-pyridinyl]boronic acid
CID 131699513
[2-(trifluoromethyl)pyrimidin-5-yl]boronic acid
CID 55263556
(2-bromopyrimidin-5-yl)boronic acid
CID 46864096
[6-(1,3-thiazol-5-yl)-3-pyridinyl]boronic acid
CID 164662483
(6-pyrazol-1-yl-3-pyridinyl)boronic acid
CID 124707516
6-boronoisoquinoline-3-carboxylic acid
CID 122129745

Frequently Asked Questions

What is the IUPAC name of [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid (CID 163585917) is [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid is C=C(F)c1ccc(B(O)O)cn1.
What is the InChIKey of [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid?
The InChIKey is GLLJDZSCZVISRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BFNO2/c1-5(9)7-3-2-6(4-10-7)8(11)12/h2-4,11-12H,1H2.
What are the key properties of [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid?
[6-(1-fluoroethenyl)-3-pyridinyl]boronic acid has a molecular weight of 166.95 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-fluoroethenyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 163585917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).