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

C7H10BNO3 — CID 2763083

IUPAC(6-methoxy-4-methyl-3-pyridinyl)boronic acid
SMILESCOc1cc(C)c(B(O)O)cn1
InChIInChI=1S/C7H10BNO3/c1-5-3-7(12-2)9-4-6(5)8(10)11/h3-4,10-11H,1-2H3
InChIKeyRLWTZURPSVMYGG-UHFFFAOYSA-N
MW166.97 g/mol
LogP-0.92
Rot. Bonds2

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

(6-methoxy-4-methyl-3-pyridinyl)boronic acid (PubChem CID 2763083) has the molecular formula C7H10BNO3 and a molecular weight of 166.97 g/mol. Its IUPAC name is (6-methoxy-4-methyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-methoxy-4-methyl-3-pyridinyl)boronic acid
PubChem CID2763083
Molecular FormulaC7H10BNO3
Molecular Weight166.97 g/mol
Exact Mass167.08
IUPAC Name(6-methoxy-4-methyl-3-pyridinyl)boronic acid
SMILESCOc1cc(C)c(B(O)O)cn1
InChIInChI=1S/C7H10BNO3/c1-5-3-7(12-2)9-4-6(5)8(10)11/h3-4,10-11H,1-2H3
InChIKeyRLWTZURPSVMYGG-UHFFFAOYSA-N
XLogP-0.92
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.97
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)boronic acid?
The IUPAC name of (6-methoxy-4-methyl-3-pyridinyl)boronic acid (CID 2763083) is (6-methoxy-4-methyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-methoxy-4-methyl-3-pyridinyl)boronic acid?
The canonical SMILES for (6-methoxy-4-methyl-3-pyridinyl)boronic acid is COc1cc(C)c(B(O)O)cn1.
What is the InChIKey of (6-methoxy-4-methyl-3-pyridinyl)boronic acid?
The InChIKey is RLWTZURPSVMYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BNO3/c1-5-3-7(12-2)9-4-6(5)8(10)11/h3-4,10-11H,1-2H3.
What are the key properties of (6-methoxy-4-methyl-3-pyridinyl)boronic acid?
(6-methoxy-4-methyl-3-pyridinyl)boronic acid has a molecular weight of 166.97 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-4-methyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 2763083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).