1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide

C7H12N2O2 — CID 162265577

IUPAC1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide
SMILESCOC[n+]1ccccc1N.[OH-]
InChIInChI=1S/C7H10N2O.H2O/c1-10-6-9-5-3-2-4-7(9)8;/h2-5,8H,6H2,1H3;1H2
InChIKeyZZVZEVCJZVRCHL-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.02
Rot. Bonds2

About 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide

1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide (PubChem CID 162265577) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide.

Molecular Properties

Compound Name1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide
PubChem CID162265577
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide
SMILESCOC[n+]1ccccc1N.[OH-]
InChIInChI=1S/C7H10N2O.H2O/c1-10-6-9-5-3-2-4-7(9)8;/h2-5,8H,6H2,1H3;1H2
InChIKeyZZVZEVCJZVRCHL-UHFFFAOYSA-N
XLogP-0.02
TPSA69.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide?
The IUPAC name of 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide (CID 162265577) is 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide.
What is the SMILES notation for 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide?
The canonical SMILES for 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide is COC[n+]1ccccc1N.[OH-].
What is the InChIKey of 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide?
The InChIKey is ZZVZEVCJZVRCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.H2O/c1-10-6-9-5-3-2-4-7(9)8;/h2-5,8H,6H2,1H3;1H2.
What are the key properties of 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide?
1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide has a molecular weight of 156.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide is sourced from PubChem (CID 162265577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).