ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium

C11H15N2O+ — CID 167521657

IUPACethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium
SMILESCC.Cc1cncc2ccc[n+](O)c12
InChIInChI=1S/C9H9N2O.C2H6/c1-7-5-10-6-8-3-2-4-11(12)9(7)8;1-2/h2-6,12H,1H3;1-2H3/q+1;
InChIKeyHDUNDRDXVYSUQO-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.09
Rot. Bonds

About ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium

ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium (PubChem CID 167521657) has the molecular formula C11H15N2O+ and a molecular weight of 191.25 g/mol. Its IUPAC name is ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium.

Molecular Properties

Compound Nameethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium
PubChem CID167521657
Molecular FormulaC11H15N2O+
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC Nameethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium
SMILESCC.Cc1cncc2ccc[n+](O)c12
InChIInChI=1S/C9H9N2O.C2H6/c1-7-5-10-6-8-3-2-4-11(12)9(7)8;1-2/h2-6,12H,1H3;1-2H3/q+1;
InChIKeyHDUNDRDXVYSUQO-UHFFFAOYSA-N
XLogP2.09
TPSA37.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
ethane;1-hydroxy-2-methylpyridin-1-ium;methane
CID 159708216
1-hydroxy-2-methylpyridin-1-ium
CID 3628169
isoquinolin-4-yl(trimethyl)silane
CID 130535883
4-methylbenzo[b][1,6]naphthyridine
CID 144676863
4-methylisoquinoline-5-thiol
CID 169302314
5-chloro-4-methylisoquinoline
CID 142595280
1-methylbenzo[a]quinolizin-5-ium
CID 14709339
ethane;isoquinoline;hydroiodide
CID 153349858
4,6-dimethylisoquinoline;ethane
CID 145415846
ethane;8-methyl-1-oxidoquinolin-1-ium
CID 91532902
ethane;naphthalene
CID 144512894

Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium?
The IUPAC name of ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium (CID 167521657) is ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium.
What is the SMILES notation for ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium?
The canonical SMILES for ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium is CC.Cc1cncc2ccc[n+](O)c12.
What is the InChIKey of ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium?
The InChIKey is HDUNDRDXVYSUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O.C2H6/c1-7-5-10-6-8-3-2-4-11(12)9(7)8;1-2/h2-6,12H,1H3;1-2H3/q+1;.
What are the key properties of ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium?
ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium has a molecular weight of 191.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-8-methyl-1,6-naphthyridin-1-ium is sourced from PubChem (CID 167521657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).