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

C6H7BBrNO3 — CID 91882826

IUPAC(6-bromo-4-methoxy-3-pyridinyl)boronic acid
SMILESCOc1cc(Br)ncc1B(O)O
InChIInChI=1S/C6H7BBrNO3/c1-12-5-2-6(8)9-3-4(5)7(10)11/h2-3,10-11H,1H3
InChIKeyWKLLZUFGEZIBDD-UHFFFAOYSA-N
MW231.84 g/mol
LogP-0.47
Rot. Bonds2

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

(6-bromo-4-methoxy-3-pyridinyl)boronic acid (PubChem CID 91882826) has the molecular formula C6H7BBrNO3 and a molecular weight of 231.84 g/mol. Its IUPAC name is (6-bromo-4-methoxy-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(6-bromo-4-methoxy-3-pyridinyl)boronic acid
PubChem CID91882826
Molecular FormulaC6H7BBrNO3
Molecular Weight231.84 g/mol
Exact Mass230.97
IUPAC Name(6-bromo-4-methoxy-3-pyridinyl)boronic acid
SMILESCOc1cc(Br)ncc1B(O)O
InChIInChI=1S/C6H7BBrNO3/c1-12-5-2-6(8)9-3-4(5)7(10)11/h2-3,10-11H,1H3
InChIKeyWKLLZUFGEZIBDD-UHFFFAOYSA-N
XLogP-0.47
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.84
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2-bromo-5-methoxy-4-methylphenyl)boronic acid
CID 171367143
(4-ethoxy-2,5-dimethoxyphenyl)boronic acid
CID 164893391
(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
(5-methoxy-1H-indazol-6-yl)boronic acid
CID 99942155
(3-ethyl-7-methoxyquinolin-6-yl)boronic acid
CID 125469640
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
2,4-dibromo-5-(4-methoxyphenoxy)pyridine
CID 155234507
[2-methoxy-4-(methoxymethoxy)phenyl]boronic acid
CID 10889201
[2-(2-bromo-4,5-dimethoxyphenyl)phenyl]boronic acid
CID 135042244
(2-methoxy-5-methylphenyl)boronic acid
CID 2773485
(2-methoxyphenyl)boronic acid
CID 2733958
[5-(bromomethyl)-2-methoxyphenyl]boronic acid
CID 100973715

Frequently Asked Questions

What is the IUPAC name of (6-bromo-4-methoxy-3-pyridinyl)boronic acid?
The IUPAC name of (6-bromo-4-methoxy-3-pyridinyl)boronic acid (CID 91882826) is (6-bromo-4-methoxy-3-pyridinyl)boronic acid.
What is the SMILES notation for (6-bromo-4-methoxy-3-pyridinyl)boronic acid?
The canonical SMILES for (6-bromo-4-methoxy-3-pyridinyl)boronic acid is COc1cc(Br)ncc1B(O)O.
What is the InChIKey of (6-bromo-4-methoxy-3-pyridinyl)boronic acid?
The InChIKey is WKLLZUFGEZIBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BBrNO3/c1-12-5-2-6(8)9-3-4(5)7(10)11/h2-3,10-11H,1H3.
What are the key properties of (6-bromo-4-methoxy-3-pyridinyl)boronic acid?
(6-bromo-4-methoxy-3-pyridinyl)boronic acid has a molecular weight of 231.84 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-bromo-4-methoxy-3-pyridinyl)boronic acid is sourced from PubChem (CID 91882826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).