[4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid

C15H20BF2NO2 — CID 169249563

IUPAC[4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1cnc(C2CC(F)(F)C2)cc1C1CCCCC1
InChIInChI=1S/C15H20BF2NO2/c17-15(18)7-11(8-15)14-6-12(10-4-2-1-3-5-10)13(9-19-14)16(20)21/h6,9-11,20-21H,1-5,7-8H2
InChIKeyKOKRGJUMDCZWIA-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.32
Rot. Bonds3

About [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid

[4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid (PubChem CID 169249563) has the molecular formula C15H20BF2NO2 and a molecular weight of 295.14 g/mol. Its IUPAC name is [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid
PubChem CID169249563
Molecular FormulaC15H20BF2NO2
Molecular Weight295.14 g/mol
Exact Mass295.16
IUPAC Name[4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid
SMILESOB(O)c1cnc(C2CC(F)(F)C2)cc1C1CCCCC1
InChIInChI=1S/C15H20BF2NO2/c17-15(18)7-11(8-15)14-6-12(10-4-2-1-3-5-10)13(9-19-14)16(20)21/h6,9-11,20-21H,1-5,7-8H2
InChIKeyKOKRGJUMDCZWIA-UHFFFAOYSA-N
XLogP2.32
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-cyclohexyl-2-(3,3-difluorocyclobutyl)pyrimidin-5-yl]boronic acid
CID 169249013
5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine
CID 174110618
(2,4-dicyclopentylphenyl)boronic acid
CID 68785233
(2-cyclohexyl-3-cyclopentylphenyl)boronic acid
CID 156779684
4-bromo-2-(3,3-difluorocyclobutyl)pyridine
CID 167511633
2-chloro-4-cyclohexyl-5-methylpyridine
CID 146459064
ethane;hydrogen peroxide;2,4,6-tricyclohexylphenol
CID 145222874
5-chloro-2-cyclohexyl-4-iodopyridine
CID 123984444
6-(3,3-difluorocyclobutyl)-5-fluoropyridin-3-ol
CID 155391972
4,6-dicyclopentylpyrimidine
CID 71817735
tert-butyl-[6-(3,3-difluorocyclobutyl)-3-pyridinyl]carbamic acid
CID 175824463
2-cyclohexyl-5-methylpyridine
CID 83382376

Frequently Asked Questions

What is the IUPAC name of [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid?
The IUPAC name of [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid (CID 169249563) is [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid is OB(O)c1cnc(C2CC(F)(F)C2)cc1C1CCCCC1.
What is the InChIKey of [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid?
The InChIKey is KOKRGJUMDCZWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BF2NO2/c17-15(18)7-11(8-15)14-6-12(10-4-2-1-3-5-10)13(9-19-14)16(20)21/h6,9-11,20-21H,1-5,7-8H2.
What are the key properties of [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid?
[4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid has a molecular weight of 295.14 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclohexyl-6-(3,3-difluorocyclobutyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 169249563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).