[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid

C12H12BNO4 — CID 74890632

IUPAC[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid
SMILESCOc1cccc(Oc2ccc(B(O)O)cn2)c1
InChIInChI=1S/C12H12BNO4/c1-17-10-3-2-4-11(7-10)18-12-6-5-9(8-14-12)13(15)16/h2-8,15-16H,1H3
InChIKeyFCZJZYPOHOACOG-UHFFFAOYSA-N
MW245.04 g/mol
LogP0.56
Rot. Bonds4

About [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid

[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid (PubChem CID 74890632) has the molecular formula C12H12BNO4 and a molecular weight of 245.04 g/mol. Its IUPAC name is [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid
PubChem CID74890632
Molecular FormulaC12H12BNO4
Molecular Weight245.04 g/mol
Exact Mass245.09
IUPAC Name[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid
SMILESCOc1cccc(Oc2ccc(B(O)O)cn2)c1
InChIInChI=1S/C12H12BNO4/c1-17-10-3-2-4-11(7-10)18-12-6-5-9(8-14-12)13(15)16/h2-8,15-16H,1H3
InChIKeyFCZJZYPOHOACOG-UHFFFAOYSA-N
XLogP0.56
TPSA71.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.04
LogP ≤ 50.56
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

6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
[6-(3-methoxyphenyl)-3-pyridinyl]boronic acid
CID 131383111
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
(3-methoxyphenyl)boronic acid
CID 2734370
2-(3-bromophenoxy)-5-methoxypyridine
CID 106503836
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
4-(3-methoxyphenoxy)pyrimidine
CID 140584284
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
[3-(3-methoxyphenyl)phenyl]boronic acid
CID 23005394
bis(3-methoxyphenyl)borinic acid
CID 153354662
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid?
The IUPAC name of [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid (CID 74890632) is [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid.
What is the SMILES notation for [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid?
The canonical SMILES for [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid is COc1cccc(Oc2ccc(B(O)O)cn2)c1.
What is the InChIKey of [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid?
The InChIKey is FCZJZYPOHOACOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BNO4/c1-17-10-3-2-4-11(7-10)18-12-6-5-9(8-14-12)13(15)16/h2-8,15-16H,1H3.
What are the key properties of [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid?
[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid has a molecular weight of 245.04 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid is sourced from PubChem (CID 74890632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).