(2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid

C12H11BFNO3 — CID 53216459

IUPAC(2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid
SMILESOB(O)c1ccc(OCc2ccccc2)nc1F
InChIInChI=1S/C12H11BFNO3/c14-12-10(13(16)17)6-7-11(15-12)18-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2
InChIKeyHQXLQBSXSPWPRR-UHFFFAOYSA-N
MW247.03 g/mol
LogP0.48
Rot. Bonds4

About (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid

(2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid (PubChem CID 53216459) has the molecular formula C12H11BFNO3 and a molecular weight of 247.03 g/mol. Its IUPAC name is (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid
PubChem CID53216459
Molecular FormulaC12H11BFNO3
Molecular Weight247.03 g/mol
Exact Mass247.08
IUPAC Name(2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid
SMILESOB(O)c1ccc(OCc2ccccc2)nc1F
InChIInChI=1S/C12H11BFNO3/c14-12-10(13(16)17)6-7-11(15-12)18-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2
InChIKeyHQXLQBSXSPWPRR-UHFFFAOYSA-N
XLogP0.48
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.03
LogP ≤ 50.48
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-(Benzyloxy)pyridine
CID 295859
B-[2-(Phenylmethoxy)-3-pyridinyl]boronic acid
CID 44755161
2-(4-Fluorophenyl)-6-methoxypyridine
CID 46312984
2-Methyl-6-phenylmethoxypyridine
CID 261829
2-Benzyloxy-6-bromopyridine
CID 817475
2,3,5-Trifluoro-6-methoxy-4-(4-methylphenoxy)pyridine
CID 4109386
6-Benzyloxypyridine-3-boronic acid
CID 17750216
[6-(3-Phenylpropoxy)-3-pyridinyl]boronic acid
CID 118734743
2-Methoxy-6-phenylpyridine-3-boronic acid
CID 2763125
2-Benzyloxypyridine-5-boronic acid, pinacol ester
CID 17750217
2,6-Bis(benzyloxy)-3-bromopyridine
CID 21818496
2-(Benzyloxy)pyridine-4-boronic acid
CID 49760451

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid?
The IUPAC name of (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid (CID 53216459) is (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid is OB(O)c1ccc(OCc2ccccc2)nc1F.
What is the InChIKey of (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid?
The InChIKey is HQXLQBSXSPWPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BFNO3/c14-12-10(13(16)17)6-7-11(15-12)18-8-9-4-2-1-3-5-9/h1-7,16-17H,8H2.
What are the key properties of (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid?
(2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid has a molecular weight of 247.03 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-phenylmethoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 53216459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).