ethane;1-hydroxy-2-methylpyridin-1-ium

C10H20NO+ — CID 144937215

IUPACethane;1-hydroxy-2-methylpyridin-1-ium
SMILESCC.CC.Cc1cccc[n+]1O
InChIInChI=1S/C6H8NO.2C2H6/c1-6-4-2-3-5-7(6)8;2*1-2/h2-5,8H,1H3;2*1-2H3/q+1;;
InChIKeyQVMOREYVHASFCM-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.57
Rot. Bonds

About ethane;1-hydroxy-2-methylpyridin-1-ium

ethane;1-hydroxy-2-methylpyridin-1-ium (PubChem CID 144937215) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is ethane;1-hydroxy-2-methylpyridin-1-ium.

Molecular Properties

Compound Nameethane;1-hydroxy-2-methylpyridin-1-ium
PubChem CID144937215
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Nameethane;1-hydroxy-2-methylpyridin-1-ium
SMILESCC.CC.Cc1cccc[n+]1O
InChIInChI=1S/C6H8NO.2C2H6/c1-6-4-2-3-5-7(6)8;2*1-2/h2-5,8H,1H3;2*1-2H3/q+1;;
InChIKeyQVMOREYVHASFCM-UHFFFAOYSA-N
XLogP2.57
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

ethane;1-hydroxy-2-methylpyridin-1-ium;methane
CID 159708216
1-hydroxy-2-methylpyridin-1-ium
CID 3628169
1,2-dimethylpyridin-1-ium;ethane;methane
CID 161162083
1-hydroxy-N-methylpyridin-1-ium-2-amine
CID 23422249
1-bromo-3-(2-methylpyridin-1-ium-1-yl)propan-2-ol
CID 5130629
1,2-dimethylpyridin-1-ium;methane
CID 162122842
hexakis(1-hydroxy-2,6-dimethylpyridin-1-ium);iron(3+)
CID 5149230
ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium
CID 167521657
4-methylquinolizin-5-ium bromide
CID 163564442
2-methyl-1-oxidopyridin-1-ium;propane
CID 91172526
ethane;1-hydroxy-2,4-dimethylpyridin-1-ium;propane
CID 167560316
2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium dibromide
CID 12598864

Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-2-methylpyridin-1-ium?
The IUPAC name of ethane;1-hydroxy-2-methylpyridin-1-ium (CID 144937215) is ethane;1-hydroxy-2-methylpyridin-1-ium.
What is the SMILES notation for ethane;1-hydroxy-2-methylpyridin-1-ium?
The canonical SMILES for ethane;1-hydroxy-2-methylpyridin-1-ium is CC.CC.Cc1cccc[n+]1O.
What is the InChIKey of ethane;1-hydroxy-2-methylpyridin-1-ium?
The InChIKey is QVMOREYVHASFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO.2C2H6/c1-6-4-2-3-5-7(6)8;2*1-2/h2-5,8H,1H3;2*1-2H3/q+1;;.
What are the key properties of ethane;1-hydroxy-2-methylpyridin-1-ium?
ethane;1-hydroxy-2-methylpyridin-1-ium has a molecular weight of 170.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-2-methylpyridin-1-ium is sourced from PubChem (CID 144937215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).