(2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid

C8H9BFNO2 — CID 67672768

IUPAC(2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid
SMILESC=CCc1ccc(B(O)O)c(F)n1
InChIInChI=1S/C8H9BFNO2/c1-2-3-6-4-5-7(9(12)13)8(10)11-6/h2,4-5,12-13H,1,3H2
InChIKeyQFHAIUONDBPKLB-UHFFFAOYSA-N
MW180.97 g/mol
LogP-0.37
Rot. Bonds3

About (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid

(2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid (PubChem CID 67672768) has the molecular formula C8H9BFNO2 and a molecular weight of 180.97 g/mol. Its IUPAC name is (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid
PubChem CID67672768
Molecular FormulaC8H9BFNO2
Molecular Weight180.97 g/mol
Exact Mass181.07
IUPAC Name(2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid
SMILESC=CCc1ccc(B(O)O)c(F)n1
InChIInChI=1S/C8H9BFNO2/c1-2-3-6-4-5-7(9(12)13)8(10)11-6/h2,4-5,12-13H,1,3H2
InChIKeyQFHAIUONDBPKLB-UHFFFAOYSA-N
XLogP-0.37
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.97
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid?
The IUPAC name of (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid (CID 67672768) is (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid?
The canonical SMILES for (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid is C=CCc1ccc(B(O)O)c(F)n1.
What is the InChIKey of (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid?
The InChIKey is QFHAIUONDBPKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BFNO2/c1-2-3-6-4-5-7(9(12)13)8(10)11-6/h2,4-5,12-13H,1,3H2.
What are the key properties of (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid?
(2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid has a molecular weight of 180.97 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-prop-2-enyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 67672768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).