[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid

C9H14BNO5 — CID 140786799

IUPAC[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid
SMILESCOCOCc1nc(OC)ccc1B(O)O
InChIInChI=1S/C9H14BNO5/c1-14-6-16-5-8-7(10(12)13)3-4-9(11-8)15-2/h3-4,12-13H,5-6H2,1-2H3
InChIKeyTXZQGGGBWMHIPW-UHFFFAOYSA-N
MW227.02 g/mol
LogP-1.11
Rot. Bonds6

About [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid

[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid (PubChem CID 140786799) has the molecular formula C9H14BNO5 and a molecular weight of 227.02 g/mol. Its IUPAC name is [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid
PubChem CID140786799
Molecular FormulaC9H14BNO5
Molecular Weight227.02 g/mol
Exact Mass227.10
IUPAC Name[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid
SMILESCOCOCc1nc(OC)ccc1B(O)O
InChIInChI=1S/C9H14BNO5/c1-14-6-16-5-8-7(10(12)13)3-4-9(11-8)15-2/h3-4,12-13H,5-6H2,1-2H3
InChIKeyTXZQGGGBWMHIPW-UHFFFAOYSA-N
XLogP-1.11
TPSA81.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.02
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid?
The IUPAC name of [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid (CID 140786799) is [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid is COCOCc1nc(OC)ccc1B(O)O.
What is the InChIKey of [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid?
The InChIKey is TXZQGGGBWMHIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BNO5/c1-14-6-16-5-8-7(10(12)13)3-4-9(11-8)15-2/h3-4,12-13H,5-6H2,1-2H3.
What are the key properties of [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid?
[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid has a molecular weight of 227.02 g/mol, XLogP of -1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid is sourced from PubChem (CID 140786799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).