[5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid

C6H7BFNO3 — CID 171084858

IUPAC[5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid
SMILES[2H]C([2H])([2H])Oc1ncc(F)cc1B(O)O
InChIInChI=1S/C6H7BFNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3,10-11H,1H3/i1D3
InChIKeyASPZNHZSIQDSTM-FIBGUPNXSA-N
MW173.95 g/mol
LogP-1.09
Rot. Bonds3

About [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid

[5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid (PubChem CID 171084858) has the molecular formula C6H7BFNO3 and a molecular weight of 173.95 g/mol. Its IUPAC name is [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid
PubChem CID171084858
Molecular FormulaC6H7BFNO3
Molecular Weight173.95 g/mol
Exact Mass174.07
IUPAC Name[5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid
SMILES[2H]C([2H])([2H])Oc1ncc(F)cc1B(O)O
InChIInChI=1S/C6H7BFNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3,10-11H,1H3/i1D3
InChIKeyASPZNHZSIQDSTM-FIBGUPNXSA-N
XLogP-1.09
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.95
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-chloro-5-(trideuteriomethoxy)-4-pyridinyl]boronic acid
CID 171486891
N-amino-N-(5-fluoro-2-methoxy-3-pyridinyl)hydroxylamine
CID 164593678
3-tert-butyl-5-fluoro-2-methoxypyridine
CID 126576651
(2-bromo-5-fluoro-3-pyridinyl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 51358216
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
1-[4-(5-fluoro-2-methoxy-3-pyridinyl)piperazin-1-yl]-2-methylpropan-1-one
CID 176811705
(5-chloro-2-propan-2-yloxy-3-pyridinyl)boronic acid
CID 53216339
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
[2-propoxy-5-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 53216367
5-fluoro-3-methyl-2-propan-2-yloxypyridine
CID 130057948
2-[(3,5-difluoro-2-pyridinyl)oxy]phenol
CID 112676281
5-fluoro-2-methoxy-3-pyridin-4-ylpyridine
CID 46315714

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid?
The IUPAC name of [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid (CID 171084858) is [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid?
The canonical SMILES for [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid is [2H]C([2H])([2H])Oc1ncc(F)cc1B(O)O.
What is the InChIKey of [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid?
The InChIKey is ASPZNHZSIQDSTM-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H7BFNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3,10-11H,1H3/i1D3.
What are the key properties of [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid?
[5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid has a molecular weight of 173.95 g/mol, XLogP of -1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(trideuteriomethoxy)-3-pyridinyl]boronic acid is sourced from PubChem (CID 171084858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).