ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium

C9H13NO2Y-2 — CID 59467992

IUPACethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium
SMILES[CH2-]C.[CH2-]c1ccc[n+]([O-])c1OC.[Y]
InChIInChI=1S/C7H8NO2.C2H5.Y/c1-6-4-3-5-8(9)7(6)10-2;1-2;/h3-5H,1H2,2H3;1H2,2H3;/q2*-1;
InChIKeyCCIAZUPEUAOGAJ-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.35
Rot. Bonds1

About ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium

ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium (PubChem CID 59467992) has the molecular formula C9H13NO2Y-2 and a molecular weight of 256.11 g/mol. Its IUPAC name is ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium.

Molecular Properties

Compound Nameethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium
PubChem CID59467992
Molecular FormulaC9H13NO2Y-2
Molecular Weight256.11 g/mol
Exact Mass256.00
IUPAC Nameethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium
SMILES[CH2-]C.[CH2-]c1ccc[n+]([O-])c1OC.[Y]
InChIInChI=1S/C7H8NO2.C2H5.Y/c1-6-4-3-5-8(9)7(6)10-2;1-2;/h3-5H,1H2,2H3;1H2,2H3;/q2*-1;
InChIKeyCCIAZUPEUAOGAJ-UHFFFAOYSA-N
XLogP1.35
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', '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;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium?
The IUPAC name of ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium (CID 59467992) is ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium.
What is the SMILES notation for ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium?
The canonical SMILES for ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium is [CH2-]C.[CH2-]c1ccc[n+]([O-])c1OC.[Y].
What is the InChIKey of ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium?
The InChIKey is CCIAZUPEUAOGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO2.C2H5.Y/c1-6-4-3-5-8(9)7(6)10-2;1-2;/h3-5H,1H2,2H3;1H2,2H3;/q2*-1;.
What are the key properties of ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium?
ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium has a molecular weight of 256.11 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methanidyl-2-methoxy-1-oxidopyridin-1-ium;yttrium is sourced from PubChem (CID 59467992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).