1-hydroxy-N-methylpyridin-1-ium-2-amine

C6H9N2O+ — CID 23422249

IUPAC1-hydroxy-N-methylpyridin-1-ium-2-amine
SMILESCNc1cccc[n+]1O
InChIInChI=1S/C6H8N2O/c1-7-6-4-2-3-5-8(6)9/h2-5,9H,1H3/p+1
InChIKeyBIABGLGSACFDEW-UHFFFAOYSA-O
MW125.15 g/mol
LogP0.25
Rot. Bonds1

About 1-hydroxy-N-methylpyridin-1-ium-2-amine

1-hydroxy-N-methylpyridin-1-ium-2-amine (PubChem CID 23422249) has the molecular formula C6H9N2O+ and a molecular weight of 125.15 g/mol. Its IUPAC name is 1-hydroxy-N-methylpyridin-1-ium-2-amine.

Molecular Properties

Compound Name1-hydroxy-N-methylpyridin-1-ium-2-amine
PubChem CID23422249
Molecular FormulaC6H9N2O+
Molecular Weight125.15 g/mol
Exact Mass125.07
IUPAC Name1-hydroxy-N-methylpyridin-1-ium-2-amine
SMILESCNc1cccc[n+]1O
InChIInChI=1S/C6H8N2O/c1-7-6-4-2-3-5-8(6)9/h2-5,9H,1H3/p+1
InChIKeyBIABGLGSACFDEW-UHFFFAOYSA-O
XLogP0.25
TPSA36.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-methylpyridin-1-ium-2-amine?
The IUPAC name of 1-hydroxy-N-methylpyridin-1-ium-2-amine (CID 23422249) is 1-hydroxy-N-methylpyridin-1-ium-2-amine.
What is the SMILES notation for 1-hydroxy-N-methylpyridin-1-ium-2-amine?
The canonical SMILES for 1-hydroxy-N-methylpyridin-1-ium-2-amine is CNc1cccc[n+]1O.
What is the InChIKey of 1-hydroxy-N-methylpyridin-1-ium-2-amine?
The InChIKey is BIABGLGSACFDEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O/c1-7-6-4-2-3-5-8(6)9/h2-5,9H,1H3/p+1.
What are the key properties of 1-hydroxy-N-methylpyridin-1-ium-2-amine?
1-hydroxy-N-methylpyridin-1-ium-2-amine has a molecular weight of 125.15 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-methylpyridin-1-ium-2-amine is sourced from PubChem (CID 23422249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).