[2-(3-methoxypropoxy)-4-pyridinyl]boronic acid

C9H14BNO4 — CID 119086342

IUPAC[2-(3-methoxypropoxy)-4-pyridinyl]boronic acid
SMILESCOCCCOc1cc(B(O)O)ccn1
InChIInChI=1S/C9H14BNO4/c1-14-5-2-6-15-9-7-8(10(12)13)3-4-11-9/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyJWOKAQQYZGGSPL-UHFFFAOYSA-N
MW211.03 g/mol
LogP-0.82
Rot. Bonds6

About [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid

[2-(3-methoxypropoxy)-4-pyridinyl]boronic acid (PubChem CID 119086342) has the molecular formula C9H14BNO4 and a molecular weight of 211.03 g/mol. Its IUPAC name is [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-(3-methoxypropoxy)-4-pyridinyl]boronic acid
PubChem CID119086342
Molecular FormulaC9H14BNO4
Molecular Weight211.03 g/mol
Exact Mass211.10
IUPAC Name[2-(3-methoxypropoxy)-4-pyridinyl]boronic acid
SMILESCOCCCOc1cc(B(O)O)ccn1
InChIInChI=1S/C9H14BNO4/c1-14-5-2-6-15-9-7-8(10(12)13)3-4-11-9/h3-4,7,12-13H,2,5-6H2,1H3
InChIKeyJWOKAQQYZGGSPL-UHFFFAOYSA-N
XLogP-0.82
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.03
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[2-(2-aminoethoxy)-4-pyridinyl]boronic acid
CID 71301500
(2-methoxy-4-pyridinyl)boronic acid;hydrochloride
CID 71306177
N-[[2-(3-methoxypropoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288778
N-[[2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103180821
4-chloro-2-(2-methoxyethoxy)pyridine
CID 71303293
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
2-(2-methoxyethoxy)pyridine-4-carbaldehyde
CID 145045484
ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
CID 176699176
1-[2-[3-(2-methoxyethoxy)propoxy]-4-pyridinyl]-N-methylethanamine
CID 103402960
(2-propoxy-4-pyridinyl)methanol
CID 61256143
2-butoxy-4-methoxypyridine
CID 151566668
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid?
The IUPAC name of [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid (CID 119086342) is [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid.
What is the SMILES notation for [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid?
The canonical SMILES for [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid is COCCCOc1cc(B(O)O)ccn1.
What is the InChIKey of [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid?
The InChIKey is JWOKAQQYZGGSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BNO4/c1-14-5-2-6-15-9-7-8(10(12)13)3-4-11-9/h3-4,7,12-13H,2,5-6H2,1H3.
What are the key properties of [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid?
[2-(3-methoxypropoxy)-4-pyridinyl]boronic acid has a molecular weight of 211.03 g/mol, XLogP of -0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropoxy)-4-pyridinyl]boronic acid is sourced from PubChem (CID 119086342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).