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

C8H12BNO5 — CID 147146503

IUPAC[2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid
SMILESCOc1ccc(B(O)O)c(COCO)n1
InChIInChI=1S/C8H12BNO5/c1-14-8-3-2-6(9(12)13)7(10-8)4-15-5-11/h2-3,11-13H,4-5H2,1H3
InChIKeyBTDQKPCAVZJRMD-UHFFFAOYSA-N
MW213.00 g/mol
LogP-1.76
Rot. Bonds5

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

[2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid (PubChem CID 147146503) has the molecular formula C8H12BNO5 and a molecular weight of 213.00 g/mol. Its IUPAC name is [2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid
PubChem CID147146503
Molecular FormulaC8H12BNO5
Molecular Weight213.00 g/mol
Exact Mass213.08
IUPAC Name[2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid
SMILESCOc1ccc(B(O)O)c(COCO)n1
InChIInChI=1S/C8H12BNO5/c1-14-8-3-2-6(9(12)13)7(10-8)4-15-5-11/h2-3,11-13H,4-5H2,1H3
InChIKeyBTDQKPCAVZJRMD-UHFFFAOYSA-N
XLogP-1.76
TPSA92.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.00
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid
CID 140786799
3-bromo-6-methoxy-2-(methoxymethoxymethyl)pyridine;[6-methoxy-2-(methoxymethoxymethyl)-3-pyridinyl]boronic acid
CID 159407812
[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-3-pyridinyl]boronic acid
CID 140786801
(3-chloro-6-methoxy-2-pyridinyl)methanol
CID 51341990
boric acid;3,6-dimethoxypyridazine
CID 139090617
3-chloro-2-ethyl-6-methoxypyridine
CID 123175687
3-[2-(aminomethyl)-6-methoxy-3-pyridinyl]propan-1-ol
CID 175565226
[6-methoxy-3-(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
CID 134636475
2-benzyl-6-methoxypyridin-3-ol
CID 1401145
(3-chloro-6-methoxy-2-pyridinyl)methanamine;hydrochloride
CID 171363984
(6-methoxy-2-methyl-3-pyridinyl)oxyboronic acid
CID 142786281
2-(3-hydroxy-6-methoxy-2-pyridinyl)-6-methoxypyridin-3-ol
CID 175477358

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid?
The IUPAC name of [2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid (CID 147146503) is [2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid.
What is the SMILES notation for [2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid?
The canonical SMILES for [2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid is COc1ccc(B(O)O)c(COCO)n1.
What is the InChIKey of [2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid?
The InChIKey is BTDQKPCAVZJRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BNO5/c1-14-8-3-2-6(9(12)13)7(10-8)4-15-5-11/h2-3,11-13H,4-5H2,1H3.
What are the key properties of [2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid?
[2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid has a molecular weight of 213.00 g/mol, XLogP of -1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethoxymethyl)-6-methoxy-3-pyridinyl]boronic acid is sourced from PubChem (CID 147146503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).