[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid

C10H14BNO4 — CID 162342133

IUPAC[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid
SMILESOB(O)c1ccncc1OCC1CCCO1
InChIInChI=1S/C10H14BNO4/c13-11(14)9-3-4-12-6-10(9)16-7-8-2-1-5-15-8/h3-4,6,8,13-14H,1-2,5,7H2
InChIKeyJPWXPRNNBBHHNT-UHFFFAOYSA-N
MW223.04 g/mol
LogP-0.68
Rot. Bonds4

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

[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid (PubChem CID 162342133) has the molecular formula C10H14BNO4 and a molecular weight of 223.04 g/mol. Its IUPAC name is [3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid
PubChem CID162342133
Molecular FormulaC10H14BNO4
Molecular Weight223.04 g/mol
Exact Mass223.10
IUPAC Name[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid
SMILESOB(O)c1ccncc1OCC1CCCO1
InChIInChI=1S/C10H14BNO4/c13-11(14)9-3-4-12-6-10(9)16-7-8-2-1-5-15-8/h3-4,6,8,13-14H,1-2,5,7H2
InChIKeyJPWXPRNNBBHHNT-UHFFFAOYSA-N
XLogP-0.68
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(oxolan-2-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 172644927
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
CID 175366959
1-methyl-5-[1-[2-(oxolan-2-ylmethoxy)phenyl]imidazol-2-yl]imidazole
CID 56710746
1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 105066320
3-[(4-methylmorpholin-2-yl)methoxy]pyridine-4-carbonitrile
CID 155234769
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
4-methoxy-3-[7-(oxolan-2-ylmethoxy)naphthalen-2-yl]pyridine
CID 172671316
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 54849396

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid?
The IUPAC name of [3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid (CID 162342133) is [3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid.
What is the SMILES notation for [3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid?
The canonical SMILES for [3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid is OB(O)c1ccncc1OCC1CCCO1.
What is the InChIKey of [3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid?
The InChIKey is JPWXPRNNBBHHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO4/c13-11(14)9-3-4-12-6-10(9)16-7-8-2-1-5-15-8/h3-4,6,8,13-14H,1-2,5,7H2.
What are the key properties of [3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid?
[3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid has a molecular weight of 223.04 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-2-ylmethoxy)-4-pyridinyl]boronic acid is sourced from PubChem (CID 162342133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).