[3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid

C14H16BNO4 — CID 62962131

IUPAC[3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid
SMILESCc1ccn(CCOc2cccc(B(O)O)c2)c(=O)c1
InChIInChI=1S/C14H16BNO4/c1-11-5-6-16(14(17)9-11)7-8-20-13-4-2-3-12(10-13)15(18)19/h2-6,9-10,18-19H,7-8H2,1H3
InChIKeyOSZPXWIMPYCJMY-UHFFFAOYSA-N
MW273.10 g/mol
LogP-0.08
Rot. Bonds5

About [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid

[3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid (PubChem CID 62962131) has the molecular formula C14H16BNO4 and a molecular weight of 273.10 g/mol. Its IUPAC name is [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid
PubChem CID62962131
Molecular FormulaC14H16BNO4
Molecular Weight273.10 g/mol
Exact Mass273.12
IUPAC Name[3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid
SMILESCc1ccn(CCOc2cccc(B(O)O)c2)c(=O)c1
InChIInChI=1S/C14H16BNO4/c1-11-5-6-16(14(17)9-11)7-8-20-13-4-2-3-12(10-13)15(18)19/h2-6,9-10,18-19H,7-8H2,1H3
InChIKeyOSZPXWIMPYCJMY-UHFFFAOYSA-N
XLogP-0.08
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 5-0.08
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

4-methyl-1-[2-(3-nitrophenoxy)ethyl]pyridin-2-one
CID 75484382
[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]boronic acid
CID 79183713
2-(4-methyl-2-oxo-1-pyridinyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 71968867
[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]boronic acid
CID 62962134
(3-hexoxyphenyl)boronic acid
CID 43145336
[3-[(3,5-dimethylphenyl)methoxy]phenyl]boronic acid
CID 54911074
[3-[2-[cyclopropyl(methyl)amino]ethoxy]phenyl]boronic acid
CID 54971054
[3-(methoxymethoxy)phenyl]boronic acid
CID 22606941
[3-[2-(2-methylpropoxy)ethoxy]phenyl]boronic acid
CID 54970593
[3-[2-(2,4-dimethyl-1,4-diazepan-1-yl)ethoxy]phenyl]boronic acid
CID 114087203
[3-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethoxy]phenyl]boronic acid
CID 63838814
N,N-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 116622594

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid?
The IUPAC name of [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid (CID 62962131) is [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid.
What is the SMILES notation for [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid?
The canonical SMILES for [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid is Cc1ccn(CCOc2cccc(B(O)O)c2)c(=O)c1.
What is the InChIKey of [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid?
The InChIKey is OSZPXWIMPYCJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BNO4/c1-11-5-6-16(14(17)9-11)7-8-20-13-4-2-3-12(10-13)15(18)19/h2-6,9-10,18-19H,7-8H2,1H3.
What are the key properties of [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid?
[3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid has a molecular weight of 273.10 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-methyl-2-oxo-1-pyridinyl)ethoxy]phenyl]boronic acid is sourced from PubChem (CID 62962131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).