[2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid

C10H15BFN3O2 — CID 163353584

IUPAC[2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid
SMILESCN1CCN(c2ccc(B(O)O)c(F)n2)CC1
InChIInChI=1S/C10H15BFN3O2/c1-14-4-6-15(7-5-14)9-3-2-8(11(16)17)10(12)13-9/h2-3,16-17H,4-7H2,1H3
InChIKeyQWPSFOQCNMANLW-UHFFFAOYSA-N
MW239.06 g/mol
LogP-1.35
Rot. Bonds2

About [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid

[2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid (PubChem CID 163353584) has the molecular formula C10H15BFN3O2 and a molecular weight of 239.06 g/mol. Its IUPAC name is [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid
PubChem CID163353584
Molecular FormulaC10H15BFN3O2
Molecular Weight239.06 g/mol
Exact Mass239.12
IUPAC Name[2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid
SMILESCN1CCN(c2ccc(B(O)O)c(F)n2)CC1
InChIInChI=1S/C10H15BFN3O2/c1-14-4-6-15(7-5-14)9-3-2-8(11(16)17)10(12)13-9/h2-3,16-17H,4-7H2,1H3
InChIKeyQWPSFOQCNMANLW-UHFFFAOYSA-N
XLogP-1.35
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.06
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine
CID 174611706
2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine
CID 67337343
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 59007235
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108
2-(4-bromo-2-fluorophenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-ol;propane
CID 143991083
N-methyl-1-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 79884994
6-fluoro-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 53016826
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
2-tert-butyl-4-(4-methylpiperazin-1-yl)pyrimidine
CID 140914815
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
6-(4-methylpiperazin-1-yl)pyridazin-3-amine;hydrochloride
CID 127262604

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid?
The IUPAC name of [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid (CID 163353584) is [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid?
The canonical SMILES for [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid is CN1CCN(c2ccc(B(O)O)c(F)n2)CC1.
What is the InChIKey of [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid?
The InChIKey is QWPSFOQCNMANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BFN3O2/c1-14-4-6-15(7-5-14)9-3-2-8(11(16)17)10(12)13-9/h2-3,16-17H,4-7H2,1H3.
What are the key properties of [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid?
[2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid has a molecular weight of 239.06 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 163353584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).