[2-(methylamino)-4-pyridinyl]oxyboronic acid

C6H9BN2O3 — CID 169224156

IUPAC[2-(methylamino)-4-pyridinyl]oxyboronic acid
SMILESCNc1cc(OB(O)O)ccn1
InChIInChI=1S/C6H9BN2O3/c1-8-6-4-5(2-3-9-6)12-7(10)11/h2-4,10-11H,1H3,(H,8,9)
InChIKeyGUBWCIXRVWFOLE-UHFFFAOYSA-N
MW167.96 g/mol
LogP-0.53
Rot. Bonds3

About [2-(methylamino)-4-pyridinyl]oxyboronic acid

[2-(methylamino)-4-pyridinyl]oxyboronic acid (PubChem CID 169224156) has the molecular formula C6H9BN2O3 and a molecular weight of 167.96 g/mol. Its IUPAC name is [2-(methylamino)-4-pyridinyl]oxyboronic acid.

Molecular Properties

Compound Name[2-(methylamino)-4-pyridinyl]oxyboronic acid
PubChem CID169224156
Molecular FormulaC6H9BN2O3
Molecular Weight167.96 g/mol
Exact Mass168.07
IUPAC Name[2-(methylamino)-4-pyridinyl]oxyboronic acid
SMILESCNc1cc(OB(O)O)ccn1
InChIInChI=1S/C6H9BN2O3/c1-8-6-4-5(2-3-9-6)12-7(10)11/h2-4,10-11H,1H3,(H,8,9)
InChIKeyGUBWCIXRVWFOLE-UHFFFAOYSA-N
XLogP-0.53
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.96
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2-pyridinyl)-methylboronamidic acid
CID 58334975
4-[3-bromo-4-(trifluoromethoxy)phenoxy]-N-methylpyridin-2-amine
CID 102715111
4-[[2-(methylamino)-4-pyridinyl]oxy]benzonitrile
CID 113368098
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyridin-2-amine
CID 113368109
N,4-dimethylpyridin-2-amine;hydrochloride
CID 54595444
4-(4-fluoro-2-methylphenoxy)-N-methylpyridin-2-amine
CID 113368178
N-methyl-4-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 178043736
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307
4-(3-ethylcyclohexyl)oxy-N-methylpyridin-2-amine
CID 113368158
6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde
CID 145351787
2-(methylamino)pyridine-4-carboxamide
CID 45084294
ethane;2-[2-(methylamino)-4-pyridinyl]propan-2-ol
CID 169237449

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-4-pyridinyl]oxyboronic acid?
The IUPAC name of [2-(methylamino)-4-pyridinyl]oxyboronic acid (CID 169224156) is [2-(methylamino)-4-pyridinyl]oxyboronic acid.
What is the SMILES notation for [2-(methylamino)-4-pyridinyl]oxyboronic acid?
The canonical SMILES for [2-(methylamino)-4-pyridinyl]oxyboronic acid is CNc1cc(OB(O)O)ccn1.
What is the InChIKey of [2-(methylamino)-4-pyridinyl]oxyboronic acid?
The InChIKey is GUBWCIXRVWFOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BN2O3/c1-8-6-4-5(2-3-9-6)12-7(10)11/h2-4,10-11H,1H3,(H,8,9).
What are the key properties of [2-(methylamino)-4-pyridinyl]oxyboronic acid?
[2-(methylamino)-4-pyridinyl]oxyboronic acid has a molecular weight of 167.96 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-4-pyridinyl]oxyboronic acid is sourced from PubChem (CID 169224156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).