[2-(pyridin-3-ylmethoxy)phenyl]boronic acid

C12H12BNO3 — CID 43145276

IUPAC[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
SMILESOB(O)c1ccccc1OCc1cccnc1
InChIInChI=1S/C12H12BNO3/c15-13(16)11-5-1-2-6-12(11)17-9-10-4-3-7-14-8-10/h1-8,15-16H,9H2
InChIKeyWBEIOMVWGUSJDW-UHFFFAOYSA-N
MW229.04 g/mol
LogP0.34
Rot. Bonds4

About [2-(pyridin-3-ylmethoxy)phenyl]boronic acid

[2-(pyridin-3-ylmethoxy)phenyl]boronic acid (PubChem CID 43145276) has the molecular formula C12H12BNO3 and a molecular weight of 229.04 g/mol. Its IUPAC name is [2-(pyridin-3-ylmethoxy)phenyl]boronic acid.

Molecular Properties

Compound Name[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
PubChem CID43145276
Molecular FormulaC12H12BNO3
Molecular Weight229.04 g/mol
Exact Mass229.09
IUPAC Name[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
SMILESOB(O)c1ccccc1OCc1cccnc1
InChIInChI=1S/C12H12BNO3/c15-13(16)11-5-1-2-6-12(11)17-9-10-4-3-7-14-8-10/h1-8,15-16H,9H2
InChIKeyWBEIOMVWGUSJDW-UHFFFAOYSA-N
XLogP0.34
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
(NE)-N-[1-[2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 24711436
[4-chloro-2-methyl-5-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 56776616
2-(pyridin-3-ylmethoxy)benzaldehyde
CID 6485567
3-[(2-benzylphenoxy)methyl]pyridine
CID 112814185
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 16782190
(1S)-1-[2-(pyridin-3-ylmethoxy)phenyl]propan-1-amine
CID 30070823
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
[2-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 43327841
2-[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]ethanol
CID 111421639
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983455

Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-3-ylmethoxy)phenyl]boronic acid?
The IUPAC name of [2-(pyridin-3-ylmethoxy)phenyl]boronic acid (CID 43145276) is [2-(pyridin-3-ylmethoxy)phenyl]boronic acid.
What is the SMILES notation for [2-(pyridin-3-ylmethoxy)phenyl]boronic acid?
The canonical SMILES for [2-(pyridin-3-ylmethoxy)phenyl]boronic acid is OB(O)c1ccccc1OCc1cccnc1.
What is the InChIKey of [2-(pyridin-3-ylmethoxy)phenyl]boronic acid?
The InChIKey is WBEIOMVWGUSJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BNO3/c15-13(16)11-5-1-2-6-12(11)17-9-10-4-3-7-14-8-10/h1-8,15-16H,9H2.
What are the key properties of [2-(pyridin-3-ylmethoxy)phenyl]boronic acid?
[2-(pyridin-3-ylmethoxy)phenyl]boronic acid has a molecular weight of 229.04 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-3-ylmethoxy)phenyl]boronic acid is sourced from PubChem (CID 43145276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).