(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid

C9H13BN2O4 — CID 142726722

IUPAC(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid
SMILESOB(O)Oc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C9H13BN2O4/c13-10(14)16-8-1-2-11-9(7-8)12-3-5-15-6-4-12/h1-2,7,13-14H,3-6H2
InChIKeyJSWFPNYKPSHTER-UHFFFAOYSA-N
MW224.03 g/mol
LogP-0.73
Rot. Bonds3

About (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid

(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid (PubChem CID 142726722) has the molecular formula C9H13BN2O4 and a molecular weight of 224.03 g/mol. Its IUPAC name is (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid.

Molecular Properties

Compound Name(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid
PubChem CID142726722
Molecular FormulaC9H13BN2O4
Molecular Weight224.03 g/mol
Exact Mass224.10
IUPAC Name(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid
SMILESOB(O)Oc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C9H13BN2O4/c13-10(14)16-8-1-2-11-9(7-8)12-3-5-15-6-4-12/h1-2,7,13-14H,3-6H2
InChIKeyJSWFPNYKPSHTER-UHFFFAOYSA-N
XLogP-0.73
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.03
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methylpiperazin-1-yl)-4-pyridinyl]oxyboronic acid
CID 142770526
[2-[4-(dimethylamino)piperidin-1-yl]-4-pyridinyl]oxyboronic acid
CID 142794515
(3-fluoro-5-morpholin-4-ylphenoxy)boronic acid
CID 142748397
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943
N-methyl-2-morpholin-4-ylpyridin-4-amine
CID 68914812
3-(2-morpholin-4-yl-4-pyridinyl)propan-1-amine
CID 83890126
4-[4-(2,2-dimethylpropyl)-2-pyridinyl]morpholine
CID 59574141
tert-butyl N-[4-[(2-morpholin-4-yl-4-pyridinyl)oxy]cyclohexyl]carbamate
CID 126674600
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-4-pyridinyl)methanamine
CID 38048783
4-[4-(2-methoxyphenyl)-2-pyridinyl]morpholine
CID 134375667
4-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]morpholine
CID 53133392
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid?
The IUPAC name of (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid (CID 142726722) is (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid.
What is the SMILES notation for (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid?
The canonical SMILES for (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid is OB(O)Oc1ccnc(N2CCOCC2)c1.
What is the InChIKey of (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid?
The InChIKey is JSWFPNYKPSHTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BN2O4/c13-10(14)16-8-1-2-11-9(7-8)12-3-5-15-6-4-12/h1-2,7,13-14H,3-6H2.
What are the key properties of (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid?
(2-morpholin-4-yl-4-pyridinyl)oxyboronic acid has a molecular weight of 224.03 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-4-pyridinyl)oxyboronic acid is sourced from PubChem (CID 142726722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).