(2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid

C7H10BNO4 — CID 142728980

IUPAC(2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid
SMILESCOc1cc(OB(O)O)cc(C)n1
InChIInChI=1S/C7H10BNO4/c1-5-3-6(13-8(10)11)4-7(9-5)12-2/h3-4,10-11H,1-2H3
InChIKeyJKSHRJZVCANVOH-UHFFFAOYSA-N
MW182.97 g/mol
LogP-0.25
Rot. Bonds3

About (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid

(2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid (PubChem CID 142728980) has the molecular formula C7H10BNO4 and a molecular weight of 182.97 g/mol. Its IUPAC name is (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid
PubChem CID142728980
Molecular FormulaC7H10BNO4
Molecular Weight182.97 g/mol
Exact Mass183.07
IUPAC Name(2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid
SMILESCOc1cc(OB(O)O)cc(C)n1
InChIInChI=1S/C7H10BNO4/c1-5-3-6(13-8(10)11)4-7(9-5)12-2/h3-4,10-11H,1-2H3
InChIKeyJKSHRJZVCANVOH-UHFFFAOYSA-N
XLogP-0.25
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.97
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,4,5-trimethylphenoxy)boronic acid
CID 22237826
(6-methoxy-2-methyl-3-pyridinyl)oxyboronic acid
CID 142786281
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
(5-methyl-3-pyridinyl)oxyboronic acid
CID 142647685
tert-butyl 2-methoxy-6-methylpyridine-4-carboxylate
CID 133059070
(6-methoxy-5-methyl-3-pyridinyl)oxyboronic acid
CID 142793911
(6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid
CID 142756994
4-(1-bromoethyl)-2-methoxy-6-methylpyridine
CID 146278364
4-methoxy-2-methyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 174764945
(3,6-dimethoxypyridazin-4-yl)oxyboronic acid
CID 142797904
[4-(aminomethyl)-3,5-dimethoxyphenoxy]boronic acid
CID 174501310
(3,4-difluoro-5-methoxyphenoxy)boronic acid
CID 142794530

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid?
The IUPAC name of (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid (CID 142728980) is (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid.
What is the SMILES notation for (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid?
The canonical SMILES for (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid is COc1cc(OB(O)O)cc(C)n1.
What is the InChIKey of (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid?
The InChIKey is JKSHRJZVCANVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO4/c1-5-3-6(13-8(10)11)4-7(9-5)12-2/h3-4,10-11H,1-2H3.
What are the key properties of (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid?
(2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid has a molecular weight of 182.97 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methyl-4-pyridinyl)oxyboronic acid is sourced from PubChem (CID 142728980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).