[6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid

C11H15BN2O2 — CID 144952709

IUPAC[6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid
SMILESCc1cc(B(O)O)cnc1N1CC2CC2C1
InChIInChI=1S/C11H15BN2O2/c1-7-2-10(12(15)16)4-13-11(7)14-5-8-3-9(8)6-14/h2,4,8-9,15-16H,3,5-6H2,1H3
InChIKeyJALOAZCJBMJKMV-UHFFFAOYSA-N
MW218.06 g/mol
LogP-0.47
Rot. Bonds2

About [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid

[6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid (PubChem CID 144952709) has the molecular formula C11H15BN2O2 and a molecular weight of 218.06 g/mol. Its IUPAC name is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid
PubChem CID144952709
Molecular FormulaC11H15BN2O2
Molecular Weight218.06 g/mol
Exact Mass218.12
IUPAC Name[6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid
SMILESCc1cc(B(O)O)cnc1N1CC2CC2C1
InChIInChI=1S/C11H15BN2O2/c1-7-2-10(12(15)16)4-13-11(7)14-5-8-3-9(8)6-14/h2,4,8-9,15-16H,3,5-6H2,1H3
InChIKeyJALOAZCJBMJKMV-UHFFFAOYSA-N
XLogP-0.47
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.06
LogP ≤ 5-0.47
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

6-(3,5-dimethylpiperidin-1-yl)-5-methylpyridin-3-amine
CID 62476350
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanol
CID 79718833
[5-methyl-6-(3-methylazetidin-1-yl)-3-pyridinyl]methanol
CID 164658279
1-(3-methyl-5-nitro-2-pyridinyl)pyrrolidine-3,4-diol
CID 106673378
1-[3-methyl-5-(methylaminomethyl)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106670475
[5-[(1R,5S)-6-methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl]-3-pyridinyl]boronic acid
CID 68917929
[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol
CID 81199999
[1-(5-bromo-3-methyl-2-pyridinyl)azetidin-3-yl]methanamine
CID 79717951
3-[5-(bromomethyl)-3-methyl-2-pyridinyl]-3-azabicyclo[3.3.1]nonane
CID 114196631
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
2-[6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-methyl-3-pyridinyl]ethanamine
CID 80634126
1-(5-amino-3-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62918540

Frequently Asked Questions

What is the IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid?
The IUPAC name of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid (CID 144952709) is [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid is Cc1cc(B(O)O)cnc1N1CC2CC2C1.
What is the InChIKey of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid?
The InChIKey is JALOAZCJBMJKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BN2O2/c1-7-2-10(12(15)16)4-13-11(7)14-5-8-3-9(8)6-14/h2,4,8-9,15-16H,3,5-6H2,1H3.
What are the key properties of [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid?
[6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid has a molecular weight of 218.06 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-azabicyclo[3.1.0]hexan-3-yl)-5-methyl-3-pyridinyl]boronic acid is sourced from PubChem (CID 144952709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).