(6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid

C7H10BNO4 — CID 142756994

IUPAC(6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid
SMILESCOc1cc(C)c(OB(O)O)cn1
InChIInChI=1S/C7H10BNO4/c1-5-3-7(12-2)9-4-6(5)13-8(10)11/h3-4,10-11H,1-2H3
InChIKeyHGOLVKVLFRCAFB-UHFFFAOYSA-N
MW182.97 g/mol
LogP-0.25
Rot. Bonds3

About (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid

(6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid (PubChem CID 142756994) has the molecular formula C7H10BNO4 and a molecular weight of 182.97 g/mol. Its IUPAC name is (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid
PubChem CID142756994
Molecular FormulaC7H10BNO4
Molecular Weight182.97 g/mol
Exact Mass183.07
IUPAC Name(6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid
SMILESCOc1cc(C)c(OB(O)O)cn1
InChIInChI=1S/C7H10BNO4/c1-5-3-7(12-2)9-4-6(5)13-8(10)11/h3-4,10-11H,1-2H3
InChIKeyHGOLVKVLFRCAFB-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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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid?
The IUPAC name of (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid (CID 142756994) is (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid.
What is the SMILES notation for (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid?
The canonical SMILES for (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid is COc1cc(C)c(OB(O)O)cn1.
What is the InChIKey of (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid?
The InChIKey is HGOLVKVLFRCAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO4/c1-5-3-7(12-2)9-4-6(5)13-8(10)11/h3-4,10-11H,1-2H3.
What are the key properties of (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid?
(6-methoxy-4-methyl-3-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 (6-methoxy-4-methyl-3-pyridinyl)oxyboronic acid is sourced from PubChem (CID 142756994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).