1-methylpyridin-1-ium-3-ol bromide

C6H8BrNO — CID 3084523

IUPAC1-methylpyridin-1-ium-3-ol bromide
SMILESC[n+]1cccc(O)c1.[Br-]
InChIInChI=1S/C6H7NO.BrH/c1-7-4-2-3-6(8)5-7;/h2-5H,1H3;1H
InChIKeyKWNRNYCXMUTXOY-UHFFFAOYSA-N
MW190.04 g/mol
LogP-2.78
Rot. Bonds

About 1-methylpyridin-1-ium-3-ol bromide

1-methylpyridin-1-ium-3-ol bromide (PubChem CID 3084523) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 1-methylpyridin-1-ium-3-ol bromide.

Molecular Properties

Compound Name1-methylpyridin-1-ium-3-ol bromide
PubChem CID3084523
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name1-methylpyridin-1-ium-3-ol bromide
SMILESC[n+]1cccc(O)c1.[Br-]
InChIInChI=1S/C6H7NO.BrH/c1-7-4-2-3-6(8)5-7;/h2-5H,1H3;1H
InChIKeyKWNRNYCXMUTXOY-UHFFFAOYSA-N
XLogP-2.78
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 5-2.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxypyridine
CID 7971
2-Amino-3-Hydroxypyridine
CID 28114
2-Bromo-3-pyridinol
CID 23070
2-Chloro-3-pyridinol
CID 81136
2,6-Dimethyl-3-pyridinol
CID 70732
2-Methyl-5-hydroxypyridine
CID 14275
3-Methoxypyridine
CID 23719
3-Hydroxypyridine-2-methanol
CID 84169
2-Methylpyridin-3-ol
CID 70719
1-Ethyl-3-hydroxypyridinium bromide
CID 198590
2-(1-Piperidinylmethyl)-3-pyridinol
CID 96480
2-((Dimethylamino)methyl)pyridin-3-ol
CID 75108

Frequently Asked Questions

What is the IUPAC name of 1-methylpyridin-1-ium-3-ol bromide?
The IUPAC name of 1-methylpyridin-1-ium-3-ol bromide (CID 3084523) is 1-methylpyridin-1-ium-3-ol bromide.
What is the SMILES notation for 1-methylpyridin-1-ium-3-ol bromide?
The canonical SMILES for 1-methylpyridin-1-ium-3-ol bromide is C[n+]1cccc(O)c1.[Br-].
What is the InChIKey of 1-methylpyridin-1-ium-3-ol bromide?
The InChIKey is KWNRNYCXMUTXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.BrH/c1-7-4-2-3-6(8)5-7;/h2-5H,1H3;1H.
What are the key properties of 1-methylpyridin-1-ium-3-ol bromide?
1-methylpyridin-1-ium-3-ol bromide has a molecular weight of 190.04 g/mol, XLogP of -2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyridin-1-ium-3-ol bromide is sourced from PubChem (CID 3084523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).