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

C12H13BN2O3 — CID 102881795

IUPAC[5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid
SMILESCc1cncc(COc2cncc(B(O)O)c2)c1
InChIInChI=1S/C12H13BN2O3/c1-9-2-10(5-14-4-9)8-18-12-3-11(13(16)17)6-15-7-12/h2-7,16-17H,8H2,1H3
InChIKeyAZTUMRLBZPLODQ-UHFFFAOYSA-N
MW244.06 g/mol
LogP0.04
Rot. Bonds4

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

[5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid (PubChem CID 102881795) has the molecular formula C12H13BN2O3 and a molecular weight of 244.06 g/mol. Its IUPAC name is [5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid
PubChem CID102881795
Molecular FormulaC12H13BN2O3
Molecular Weight244.06 g/mol
Exact Mass244.10
IUPAC Name[5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid
SMILESCc1cncc(COc2cncc(B(O)O)c2)c1
InChIInChI=1S/C12H13BN2O3/c1-9-2-10(5-14-4-9)8-18-12-3-11(13(16)17)6-15-7-12/h2-7,16-17H,8H2,1H3
InChIKeyAZTUMRLBZPLODQ-UHFFFAOYSA-N
XLogP0.04
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 50.04
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-[(5-methyl-3-pyridinyl)methoxy]phenyl]boronic acid
CID 102881779
[5-(phenylmethoxymethoxy)-3-pyridinyl]boronic acid
CID 102939984
5-[(5-methyl-3-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 102881330
3-[(3-fluoro-4-methylphenoxy)methyl]-5-methylpyridine
CID 107171333
[5-[(5-methyl-3-pyridinyl)methoxy]-2-pyridinyl]methanamine
CID 102880469
N'-hydroxy-4-[(5-methyl-3-pyridinyl)methoxy]benzenecarboximidamide
CID 102881387
[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
[5-(3,3,3-trifluoropropoxy)-3-pyridinyl]boronic acid
CID 64565282
3-[[3-(chloromethyl)phenoxy]methyl]-5-methylpyridine
CID 102881690
[5-(3-phenylprop-2-enoxy)-3-pyridinyl]boronic acid
CID 77022530
[3,5-dimethoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]methanol
CID 102881591
[3-fluoro-5-[(4-methylphenyl)methoxy]phenyl]boronic acid
CID 81332002

Frequently Asked Questions

What is the IUPAC name of [5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid?
The IUPAC name of [5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid (CID 102881795) is [5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid?
The canonical SMILES for [5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid is Cc1cncc(COc2cncc(B(O)O)c2)c1.
What is the InChIKey of [5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid?
The InChIKey is AZTUMRLBZPLODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BN2O3/c1-9-2-10(5-14-4-9)8-18-12-3-11(13(16)17)6-15-7-12/h2-7,16-17H,8H2,1H3.
What are the key properties of [5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid?
[5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid has a molecular weight of 244.06 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-methyl-3-pyridinyl)methoxy]-3-pyridinyl]boronic acid is sourced from PubChem (CID 102881795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).