[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid

C11H17BN2O4 — CID 79182686

IUPAC[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid
SMILESCN1CCOC(COc2cncc(B(O)O)c2)C1
InChIInChI=1S/C11H17BN2O4/c1-14-2-3-17-11(7-14)8-18-10-4-9(12(15)16)5-13-6-10/h4-6,11,15-16H,2-3,7-8H2,1H3
InChIKeyMJDOFIFTHCVDKK-UHFFFAOYSA-N
MW252.08 g/mol
LogP-1.53
Rot. Bonds4

About [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid

[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid (PubChem CID 79182686) has the molecular formula C11H17BN2O4 and a molecular weight of 252.08 g/mol. Its IUPAC name is [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid.

Molecular Properties

Compound Name[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid
PubChem CID79182686
Molecular FormulaC11H17BN2O4
Molecular Weight252.08 g/mol
Exact Mass252.13
IUPAC Name[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid
SMILESCN1CCOC(COc2cncc(B(O)O)c2)C1
InChIInChI=1S/C11H17BN2O4/c1-14-2-3-17-11(7-14)8-18-10-4-9(12(15)16)5-13-6-10/h4-6,11,15-16H,2-3,7-8H2,1H3
InChIKeyMJDOFIFTHCVDKK-UHFFFAOYSA-N
XLogP-1.53
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.08
LogP ≤ 5-1.53
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

potassium trifluoro-[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boranuide
CID 79182858
[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 79182948
[5-[(5-methyloxolan-2-yl)methoxy]-3-pyridinyl]boronic acid
CID 103135576
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
2-[(3-chlorophenoxy)methyl]-4-methylmorpholine
CID 71048945
3-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79166366
4-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 79171418
(1S)-1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-1-ol
CID 79172364
N-[1-[4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79171845
3-methoxy-5-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 103567448
N-[1-[3-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 79172241
[6-[(4-methylmorpholin-2-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
CID 79172447

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid?
The IUPAC name of [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid (CID 79182686) is [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid.
What is the SMILES notation for [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid?
The canonical SMILES for [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid is CN1CCOC(COc2cncc(B(O)O)c2)C1.
What is the InChIKey of [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid?
The InChIKey is MJDOFIFTHCVDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O4/c1-14-2-3-17-11(7-14)8-18-10-4-9(12(15)16)5-13-6-10/h4-6,11,15-16H,2-3,7-8H2,1H3.
What are the key properties of [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid?
[5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid has a molecular weight of 252.08 g/mol, XLogP of -1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methylmorpholin-2-yl)methoxy]-3-pyridinyl]boronic acid is sourced from PubChem (CID 79182686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).