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

C10H22NO+ — CID 159708216

IUPACethane;1-hydroxy-2-methylpyridin-1-ium;methane
SMILESC.C.CC.Cc1cccc[n+]1O
InChIInChI=1S/C6H8NO.C2H6.2CH4/c1-6-4-2-3-5-7(6)8;1-2;;/h2-5,8H,1H3;1-2H3;2*1H4/q+1;;;
InChIKeyMYMMCFWUSJKOSD-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds

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

ethane;1-hydroxy-2-methylpyridin-1-ium;methane (PubChem CID 159708216) has the molecular formula C10H22NO+ and a molecular weight of 172.29 g/mol. Its IUPAC name is ethane;1-hydroxy-2-methylpyridin-1-ium;methane.

Molecular Properties

Compound Nameethane;1-hydroxy-2-methylpyridin-1-ium;methane
PubChem CID159708216
Molecular FormulaC10H22NO+
Molecular Weight172.29 g/mol
Exact Mass172.17
IUPAC Nameethane;1-hydroxy-2-methylpyridin-1-ium;methane
SMILESC.C.CC.Cc1cccc[n+]1O
InChIInChI=1S/C6H8NO.C2H6.2CH4/c1-6-4-2-3-5-7(6)8;1-2;;/h2-5,8H,1H3;1-2H3;2*1H4/q+1;;;
InChIKeyMYMMCFWUSJKOSD-UHFFFAOYSA-N
XLogP2.82
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.82
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
CID 144937215
1-hydroxy-2-methylpyridin-1-ium
CID 3628169
1,2-dimethylpyridin-1-ium;ethane;methane
CID 161162083
1,2-dimethylpyridin-1-ium;methane
CID 162122842
1-hydroxy-N-methylpyridin-1-ium-2-amine
CID 23422249
1-bromo-3-(2-methylpyridin-1-ium-1-yl)propan-2-ol
CID 5130629
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;methane;pentakis(1,2-xylene)
CID 158909718
ethane;1-hydroxy-2,4-dimethylpyridin-1-ium;propane
CID 167560316

Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-2-methylpyridin-1-ium;methane?
The IUPAC name of ethane;1-hydroxy-2-methylpyridin-1-ium;methane (CID 159708216) is ethane;1-hydroxy-2-methylpyridin-1-ium;methane.
What is the SMILES notation for ethane;1-hydroxy-2-methylpyridin-1-ium;methane?
The canonical SMILES for ethane;1-hydroxy-2-methylpyridin-1-ium;methane is C.C.CC.Cc1cccc[n+]1O.
What is the InChIKey of ethane;1-hydroxy-2-methylpyridin-1-ium;methane?
The InChIKey is MYMMCFWUSJKOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO.C2H6.2CH4/c1-6-4-2-3-5-7(6)8;1-2;;/h2-5,8H,1H3;1-2H3;2*1H4/q+1;;;.
What are the key properties of ethane;1-hydroxy-2-methylpyridin-1-ium;methane?
ethane;1-hydroxy-2-methylpyridin-1-ium;methane has a molecular weight of 172.29 g/mol, XLogP of 2.82, 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;methane is sourced from PubChem (CID 159708216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).