cerium;4-methyl-2H-pyridin-2-ide

C6H6CeN- — CID 145411055

IUPACcerium;4-methyl-2H-pyridin-2-ide
SMILESCc1c[c-]ncc1.[Ce]
InChIInChI=1S/C6H6N.Ce/c1-6-2-4-7-5-3-6;/h2-4H,1H3;/q-1;
InChIKeyDNGSUEOLMYMINI-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.19
Rot. Bonds

About cerium;4-methyl-2H-pyridin-2-ide

cerium;4-methyl-2H-pyridin-2-ide (PubChem CID 145411055) has the molecular formula C6H6CeN- and a molecular weight of 232.24 g/mol. Its IUPAC name is cerium;4-methyl-2H-pyridin-2-ide.

Molecular Properties

Compound Namecerium;4-methyl-2H-pyridin-2-ide
PubChem CID145411055
Molecular FormulaC6H6CeN-
Molecular Weight232.24 g/mol
Exact Mass231.96
IUPAC Namecerium;4-methyl-2H-pyridin-2-ide
SMILESCc1c[c-]ncc1.[Ce]
InChIInChI=1S/C6H6N.Ce/c1-6-2-4-7-5-3-6;/h2-4H,1H3;/q-1;
InChIKeyDNGSUEOLMYMINI-UHFFFAOYSA-N
XLogP1.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cerium;4-methyl-2H-pyridin-2-ide?
The IUPAC name of cerium;4-methyl-2H-pyridin-2-ide (CID 145411055) is cerium;4-methyl-2H-pyridin-2-ide.
What is the SMILES notation for cerium;4-methyl-2H-pyridin-2-ide?
The canonical SMILES for cerium;4-methyl-2H-pyridin-2-ide is Cc1c[c-]ncc1.[Ce].
What is the InChIKey of cerium;4-methyl-2H-pyridin-2-ide?
The InChIKey is DNGSUEOLMYMINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.Ce/c1-6-2-4-7-5-3-6;/h2-4H,1H3;/q-1;.
What are the key properties of cerium;4-methyl-2H-pyridin-2-ide?
cerium;4-methyl-2H-pyridin-2-ide has a molecular weight of 232.24 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cerium;4-methyl-2H-pyridin-2-ide is sourced from PubChem (CID 145411055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).