1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol

C10H18N3O2+ — CID 175062485

IUPAC1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol
SMILESCN(C)C(O[n+]1ccccc1O)N(C)C
InChIInChI=1S/C10H17N3O2/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14/h5-8,10H,1-4H3/p+1
InChIKeyGWHZTXCBISGISF-UHFFFAOYSA-O
MW212.27 g/mol
LogP-0.48
Rot. Bonds4

About 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol

1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol (PubChem CID 175062485) has the molecular formula C10H18N3O2+ and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol.

Molecular Properties

Compound Name1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol
PubChem CID175062485
Molecular FormulaC10H18N3O2+
Molecular Weight212.27 g/mol
Exact Mass212.14
IUPAC Name1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol
SMILESCN(C)C(O[n+]1ccccc1O)N(C)C
InChIInChI=1S/C10H17N3O2/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14/h5-8,10H,1-4H3/p+1
InChIKeyGWHZTXCBISGISF-UHFFFAOYSA-O
XLogP-0.48
TPSA39.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Tetrabutylammonium 2-pyridinolate
CID 16656196
CID 12600274
CID 12600274
Pyridyl nitrite
CID 21954796
2-(Aminooxy)pyridine
CID 22154788
Pyridine-hydroperoxide
CID 22154796
Pyridinylboric acid
CID 23137191
Pyridyl nitrate
CID 54396083
2-Hydroxypyridin-1-ium-1-carboxylic acid
CID 69111890
pyridin-2-yl N,N-dimethylsulfamate
CID 89883539
1-Phenylpyridin-1-ium-2-ol
CID 146164768
N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine
CID 122543863
N-[(5-fluoro-2-pyridinyl)oxy]-N-methylmethanamine
CID 123221461

Frequently Asked Questions

What is the IUPAC name of 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol?
The IUPAC name of 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol (CID 175062485) is 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol.
What is the SMILES notation for 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol?
The canonical SMILES for 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol is CN(C)C(O[n+]1ccccc1O)N(C)C.
What is the InChIKey of 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol?
The InChIKey is GWHZTXCBISGISF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N3O2/c1-11(2)10(12(3)4)15-13-8-6-5-7-9(13)14/h5-8,10H,1-4H3/p+1.
What are the key properties of 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol?
1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol has a molecular weight of 212.27 g/mol, XLogP of -0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(dimethylamino)methoxy]pyridin-1-ium-2-ol is sourced from PubChem (CID 175062485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).