1-methyl-1H-pyridin-1-ium-2-one iodide

C6H8INO — CID 22460144

IUPAC1-methyl-1H-pyridin-1-ium-2-one iodide
SMILESC[NH+]1C=CC=CC1=O.[I-]
InChIInChI=1S/C6H7NO.HI/c1-7-5-3-2-4-6(7)8;/h2-5H,1H3;1H
InChIKeySENLRGPGOSFQIG-UHFFFAOYSA-N
MW237.04 g/mol
LogP-3.88
Rot. Bonds

About 1-methyl-1H-pyridin-1-ium-2-one iodide

1-methyl-1H-pyridin-1-ium-2-one iodide (PubChem CID 22460144) has the molecular formula C6H8INO and a molecular weight of 237.04 g/mol. Its IUPAC name is 1-methyl-1H-pyridin-1-ium-2-one iodide.

Molecular Properties

Compound Name1-methyl-1H-pyridin-1-ium-2-one iodide
PubChem CID22460144
Molecular FormulaC6H8INO
Molecular Weight237.04 g/mol
Exact Mass236.97
IUPAC Name1-methyl-1H-pyridin-1-ium-2-one iodide
SMILESC[NH+]1C=CC=CC1=O.[I-]
InChIInChI=1S/C6H7NO.HI/c1-7-5-3-2-4-6(7)8;/h2-5H,1H3;1H
InChIKeySENLRGPGOSFQIG-UHFFFAOYSA-N
XLogP-3.88
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 5-3.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1H-pyridin-1-ium-2-one iodide?
The IUPAC name of 1-methyl-1H-pyridin-1-ium-2-one iodide (CID 22460144) is 1-methyl-1H-pyridin-1-ium-2-one iodide.
What is the SMILES notation for 1-methyl-1H-pyridin-1-ium-2-one iodide?
The canonical SMILES for 1-methyl-1H-pyridin-1-ium-2-one iodide is C[NH+]1C=CC=CC1=O.[I-].
What is the InChIKey of 1-methyl-1H-pyridin-1-ium-2-one iodide?
The InChIKey is SENLRGPGOSFQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.HI/c1-7-5-3-2-4-6(7)8;/h2-5H,1H3;1H.
What are the key properties of 1-methyl-1H-pyridin-1-ium-2-one iodide?
1-methyl-1H-pyridin-1-ium-2-one iodide has a molecular weight of 237.04 g/mol, XLogP of -3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1H-pyridin-1-ium-2-one iodide is sourced from PubChem (CID 22460144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).