[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid

C13H14BNO3 — CID 102881779

IUPAC[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
SMILESCc1cncc(COc2cccc(B(O)O)c2)c1
InChIInChI=1S/C13H14BNO3/c1-10-5-11(8-15-7-10)9-18-13-4-2-3-12(6-13)14(16)17/h2-8,16-17H,9H2,1H3
InChIKeyKJPPEZVGIMEGGY-UHFFFAOYSA-N
MW243.07 g/mol
LogP0.65
Rot. Bonds4

About [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid

[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid (PubChem CID 102881779) has the molecular formula C13H14BNO3 and a molecular weight of 243.07 g/mol. Its IUPAC name is [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
PubChem CID102881779
Molecular FormulaC13H14BNO3
Molecular Weight243.07 g/mol
Exact Mass243.11
IUPAC Name[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
SMILESCc1cncc(COc2cccc(B(O)O)c2)c1
InChIInChI=1S/C13H14BNO3/c1-10-5-11(8-15-7-10)9-18-13-4-2-3-12(6-13)14(16)17/h2-8,16-17H,9H2,1H3
InChIKeyKJPPEZVGIMEGGY-UHFFFAOYSA-N
XLogP0.65
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid
CID 102881795
[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine
CID 102881690
[3-[(3,5-difluorophenyl)methoxy]phenyl]boronic acid
CID 105404414
[3-[[3-(methoxymethyl)phenoxy]methyl]phenyl]boronic acid
CID 63984221
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
[3-[[3-(hydroxymethyl)-5-methoxyphenyl]methoxy]phenyl]boronic acid
CID 123997809
5-[(3-methylphenoxy)methyl]pyridine-3-carboxylic acid
CID 117212705
(5-methyl-3-pyridinyl)methyl 2-(3-aminophenoxy)acetate
CID 102878368
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
[3-(2-pyridin-4-ylethoxy)phenyl]boronic acid
CID 60893229
[5-[(5-methyl-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 102880469

Frequently Asked Questions

What is the IUPAC name of [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid?
The IUPAC name of [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid (CID 102881779) is [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid.
What is the SMILES notation for [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid?
The canonical SMILES for [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid is Cc1cncc(COc2cccc(B(O)O)c2)c1.
What is the InChIKey of [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid?
The InChIKey is KJPPEZVGIMEGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BNO3/c1-10-5-11(8-15-7-10)9-18-13-4-2-3-12(6-13)14(16)17/h2-8,16-17H,9H2,1H3.
What are the key properties of [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid?
[3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid has a molecular weight of 243.07 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid is sourced from PubChem (CID 102881779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).