2-amino-1-methylpyridin-1-ium-3-ol iodide

C6H9IN2O — CID 174810358

IUPAC2-amino-1-methylpyridin-1-ium-3-ol iodide
SMILESC[n+]1cccc(O)c1N.[I-]
InChIInChI=1S/C6H8N2O.HI/c1-8-4-2-3-5(9)6(8)7;/h2-4,7,9H,1H3;1H
InChIKeyXQEIBGCVIVNPHQ-UHFFFAOYSA-N
MW252.06 g/mol
LogP-3.20
Rot. Bonds

About 2-amino-1-methylpyridin-1-ium-3-ol iodide

2-amino-1-methylpyridin-1-ium-3-ol iodide (PubChem CID 174810358) has the molecular formula C6H9IN2O and a molecular weight of 252.06 g/mol. Its IUPAC name is 2-amino-1-methylpyridin-1-ium-3-ol iodide.

Molecular Properties

Compound Name2-amino-1-methylpyridin-1-ium-3-ol iodide
PubChem CID174810358
Molecular FormulaC6H9IN2O
Molecular Weight252.06 g/mol
Exact Mass251.98
IUPAC Name2-amino-1-methylpyridin-1-ium-3-ol iodide
SMILESC[n+]1cccc(O)c1N.[I-]
InChIInChI=1S/C6H8N2O.HI/c1-8-4-2-3-5(9)6(8)7;/h2-4,7,9H,1H3;1H
InChIKeyXQEIBGCVIVNPHQ-UHFFFAOYSA-N
XLogP-3.20
TPSA50.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 5-3.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylpyridin-1-ium-3-ol iodide?
The IUPAC name of 2-amino-1-methylpyridin-1-ium-3-ol iodide (CID 174810358) is 2-amino-1-methylpyridin-1-ium-3-ol iodide.
What is the SMILES notation for 2-amino-1-methylpyridin-1-ium-3-ol iodide?
The canonical SMILES for 2-amino-1-methylpyridin-1-ium-3-ol iodide is C[n+]1cccc(O)c1N.[I-].
What is the InChIKey of 2-amino-1-methylpyridin-1-ium-3-ol iodide?
The InChIKey is XQEIBGCVIVNPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.HI/c1-8-4-2-3-5(9)6(8)7;/h2-4,7,9H,1H3;1H.
What are the key properties of 2-amino-1-methylpyridin-1-ium-3-ol iodide?
2-amino-1-methylpyridin-1-ium-3-ol iodide has a molecular weight of 252.06 g/mol, XLogP of -3.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylpyridin-1-ium-3-ol iodide is sourced from PubChem (CID 174810358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).