(2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid

C8H11BFNO3 — CID 53216457

IUPAC(2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid
SMILESCC(C)Oc1ccc(B(O)O)c(F)n1
InChIInChI=1S/C8H11BFNO3/c1-5(2)14-7-4-3-6(9(12)13)8(10)11-7/h3-5,12-13H,1-2H3
InChIKeyHXZSWTOYGXUJDG-UHFFFAOYSA-N
MW198.99 g/mol
LogP-0.31
Rot. Bonds3

About (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid

(2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid (PubChem CID 53216457) has the molecular formula C8H11BFNO3 and a molecular weight of 198.99 g/mol. Its IUPAC name is (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid
PubChem CID53216457
Molecular FormulaC8H11BFNO3
Molecular Weight198.99 g/mol
Exact Mass199.08
IUPAC Name(2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid
SMILESCC(C)Oc1ccc(B(O)O)c(F)n1
InChIInChI=1S/C8H11BFNO3/c1-5(2)14-7-4-3-6(9(12)13)8(10)11-7/h3-5,12-13H,1-2H3
InChIKeyHXZSWTOYGXUJDG-UHFFFAOYSA-N
XLogP-0.31
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.99
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-Bis(2-(dimethylamino)ethoxy)pyridine
CID 96392
2,6-Dimethoxypyridine
CID 80378
2-Ethoxypyridine-3-boronic acid
CID 11309733
2-Ethoxypyridine-5-boronic Acid
CID 12012237
(2,6-Dimethoxypyridin-3-yl)boronic acid
CID 2762707
6-Methoxypyridine-2-boronic acid
CID 2762741
Pyridine, 2-ethoxy-6-methyl-
CID 4738465
2-Fluoro-6-methoxypyridine
CID 14296367
2-Methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 17750508
6-Hexyloxypyridine-3-boronic acid
CID 22112571
(6-Butoxypyridin-3-yl)boronic acid
CID 45116227
(6-Propoxypyridin-3-yl)boronic acid
CID 46739386

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid?
The IUPAC name of (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid (CID 53216457) is (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid?
The canonical SMILES for (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid is CC(C)Oc1ccc(B(O)O)c(F)n1.
What is the InChIKey of (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid?
The InChIKey is HXZSWTOYGXUJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BFNO3/c1-5(2)14-7-4-3-6(9(12)13)8(10)11-7/h3-5,12-13H,1-2H3.
What are the key properties of (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid?
(2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid has a molecular weight of 198.99 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-propan-2-yloxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 53216457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).