ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium

C11H15N2O+ — CID 143610063

IUPACethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium
SMILESCC.Cc1cc2cc[n+](O)cc2cn1
InChIInChI=1S/C9H9N2O.C2H6/c1-7-4-8-2-3-11(12)6-9(8)5-10-7;1-2/h2-6,12H,1H3;1-2H3/q+1;
InChIKeyBIQZNMNUYODOHL-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.09
Rot. Bonds

About ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium

ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium (PubChem CID 143610063) has the molecular formula C11H15N2O+ and a molecular weight of 191.25 g/mol. Its IUPAC name is ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium.

Molecular Properties

Compound Nameethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium
PubChem CID143610063
Molecular FormulaC11H15N2O+
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC Nameethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium
SMILESCC.Cc1cc2cc[n+](O)cc2cn1
InChIInChI=1S/C9H9N2O.C2H6/c1-7-4-8-2-3-11(12)6-9(8)5-10-7;1-2/h2-6,12H,1H3;1-2H3/q+1;
InChIKeyBIQZNMNUYODOHL-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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Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium?
The IUPAC name of ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium (CID 143610063) is ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium.
What is the SMILES notation for ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium?
The canonical SMILES for ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium is CC.Cc1cc2cc[n+](O)cc2cn1.
What is the InChIKey of ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium?
The InChIKey is BIQZNMNUYODOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O.C2H6/c1-7-4-8-2-3-11(12)6-9(8)5-10-7;1-2/h2-6,12H,1H3;1-2H3/q+1;.
What are the key properties of ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium?
ethane;2-hydroxy-6-methyl-2,7-naphthyridin-2-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;2-hydroxy-6-methyl-2,7-naphthyridin-2-ium is sourced from PubChem (CID 143610063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).