1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine

C7H10N2O2 — CID 174527116

IUPAC1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine
SMILESCC(N)Oc1ccc[n+]([O-])c1
InChIInChI=1S/C7H10N2O2/c1-6(8)11-7-3-2-4-9(10)5-7/h2-6H,8H2,1H3
InChIKeyMLVOUSKIJKKXJR-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.00
Rot. Bonds2

About 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine

1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine (PubChem CID 174527116) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine.

Molecular Properties

Compound Name1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine
PubChem CID174527116
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine
SMILESCC(N)Oc1ccc[n+]([O-])c1
InChIInChI=1S/C7H10N2O2/c1-6(8)11-7-3-2-4-9(10)5-7/h2-6H,8H2,1H3
InChIKeyMLVOUSKIJKKXJR-UHFFFAOYSA-N
XLogP0.00
TPSA62.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1-aminoethoxy)phenoxy]ethanamine;dihydrochloride
CID 23622432
2-methylpropyl 1-oxidopyridin-1-ium-3-carboxylate
CID 3345050
1-(1-oxidopyridin-1-ium-3-yl)propan-2-ol
CID 175113200
1-(4-fluorophenoxy)ethanamine
CID 68874100
4-[4-(1-aminoethoxy)phenyl]phenol
CID 163497782
3-[[2-fluoro-4-methyl-3-(1-oxidopyridin-1-ium-3-yl)oxyphenyl]methyl]-5-methyl-1H-pyridazin-6-one
CID 18440105
dimethyl(diphenoxy)phosphanium
CID 118068912
1-(1,2-thiazol-4-yloxy)ethanamine
CID 117230048
5-(1-oxidopyridin-1-ium-3-yl)pentan-1-ol
CID 57234621
1-[2-(4-methylphenyl)pyrimidin-5-yl]oxyethanamine
CID 117231082
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine?
The IUPAC name of 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine (CID 174527116) is 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine.
What is the SMILES notation for 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine?
The canonical SMILES for 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine is CC(N)Oc1ccc[n+]([O-])c1.
What is the InChIKey of 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine?
The InChIKey is MLVOUSKIJKKXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(8)11-7-3-2-4-9(10)5-7/h2-6H,8H2,1H3.
What are the key properties of 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine?
1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine has a molecular weight of 154.17 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxidopyridin-1-ium-3-yl)oxyethanamine is sourced from PubChem (CID 174527116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).