(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid

C8H12BNO3 — CID 86686389

IUPAC(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid
SMILESCOc1nc(C)cc(C)c1B(O)O
InChIInChI=1S/C8H12BNO3/c1-5-4-6(2)10-8(13-3)7(5)9(11)12/h4,11-12H,1-3H3
InChIKeySDLXRGHGPFPFHW-UHFFFAOYSA-N
MW181.00 g/mol
LogP-0.61
Rot. Bonds2

About (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid

(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid (PubChem CID 86686389) has the molecular formula C8H12BNO3 and a molecular weight of 181.00 g/mol. Its IUPAC name is (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid.

Molecular Properties

Compound Name(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid
PubChem CID86686389
Molecular FormulaC8H12BNO3
Molecular Weight181.00 g/mol
Exact Mass181.09
IUPAC Name(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid
SMILESCOc1nc(C)cc(C)c1B(O)O
InChIInChI=1S/C8H12BNO3/c1-5-4-6(2)10-8(13-3)7(5)9(11)12/h4,11-12H,1-3H3
InChIKeySDLXRGHGPFPFHW-UHFFFAOYSA-N
XLogP-0.61
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.00
LogP ≤ 5-0.61
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 (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid?
The IUPAC name of (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid (CID 86686389) is (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid.
What is the SMILES notation for (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid?
The canonical SMILES for (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid is COc1nc(C)cc(C)c1B(O)O.
What is the InChIKey of (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid?
The InChIKey is SDLXRGHGPFPFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BNO3/c1-5-4-6(2)10-8(13-3)7(5)9(11)12/h4,11-12H,1-3H3.
What are the key properties of (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid?
(2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid has a molecular weight of 181.00 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4,6-dimethyl-3-pyridinyl)boronic acid is sourced from PubChem (CID 86686389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).