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

C6H8INO — CID 174936408

IUPAC2-methylpyridin-1-ium-3-ol iodide
SMILESCc1[nH+]cccc1O.[I-]
InChIInChI=1S/C6H7NO.HI/c1-5-6(8)3-2-4-7-5;/h2-4,8H,1H3;1H
InChIKeyTUQXHLAIEMDVIS-UHFFFAOYSA-N
MW237.04 g/mol
LogP-2.48
Rot. Bonds

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

2-methylpyridin-1-ium-3-ol iodide (PubChem CID 174936408) has the molecular formula C6H8INO and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-methylpyridin-1-ium-3-ol iodide.

Molecular Properties

Compound Name2-methylpyridin-1-ium-3-ol iodide
PubChem CID174936408
Molecular FormulaC6H8INO
Molecular Weight237.04 g/mol
Exact Mass236.97
IUPAC Name2-methylpyridin-1-ium-3-ol iodide
SMILESCc1[nH+]cccc1O.[I-]
InChIInChI=1S/C6H7NO.HI/c1-5-6(8)3-2-4-7-5;/h2-4,8H,1H3;1H
InChIKeyTUQXHLAIEMDVIS-UHFFFAOYSA-N
XLogP-2.48
TPSA34.37 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 ≤ 5-2.48
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 2-methylpyridin-1-ium-3-ol iodide?
The IUPAC name of 2-methylpyridin-1-ium-3-ol iodide (CID 174936408) is 2-methylpyridin-1-ium-3-ol iodide.
What is the SMILES notation for 2-methylpyridin-1-ium-3-ol iodide?
The canonical SMILES for 2-methylpyridin-1-ium-3-ol iodide is Cc1[nH+]cccc1O.[I-].
What is the InChIKey of 2-methylpyridin-1-ium-3-ol iodide?
The InChIKey is TUQXHLAIEMDVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.HI/c1-5-6(8)3-2-4-7-5;/h2-4,8H,1H3;1H.
What are the key properties of 2-methylpyridin-1-ium-3-ol iodide?
2-methylpyridin-1-ium-3-ol iodide has a molecular weight of 237.04 g/mol, XLogP of -2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyridin-1-ium-3-ol iodide is sourced from PubChem (CID 174936408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).