ethane;4-methyl-3H-pyridin-3-ide;yttrium

C8H12NY- — CID 145492836

IUPACethane;4-methyl-3H-pyridin-3-ide;yttrium
SMILESCC.Cc1[c-]cncc1.[Y]
InChIInChI=1S/C6H6N.C2H6.Y/c1-6-2-4-7-5-3-6;1-2;/h2,4-5H,1H3;1-2H3;/q-1;;
InChIKeyIPJOLKNTHXKPFI-UHFFFAOYSA-N
MW211.10 g/mol
LogP2.21
Rot. Bonds

About ethane;4-methyl-3H-pyridin-3-ide;yttrium

ethane;4-methyl-3H-pyridin-3-ide;yttrium (PubChem CID 145492836) has the molecular formula C8H12NY- and a molecular weight of 211.10 g/mol. Its IUPAC name is ethane;4-methyl-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Nameethane;4-methyl-3H-pyridin-3-ide;yttrium
PubChem CID145492836
Molecular FormulaC8H12NY-
Molecular Weight211.10 g/mol
Exact Mass211.00
IUPAC Nameethane;4-methyl-3H-pyridin-3-ide;yttrium
SMILESCC.Cc1[c-]cncc1.[Y]
InChIInChI=1S/C6H6N.C2H6.Y/c1-6-2-4-7-5-3-6;1-2;/h2,4-5H,1H3;1-2H3;/q-1;;
InChIKeyIPJOLKNTHXKPFI-UHFFFAOYSA-N
XLogP2.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 52.21
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 ethane;4-methyl-3H-pyridin-3-ide;yttrium?
The IUPAC name of ethane;4-methyl-3H-pyridin-3-ide;yttrium (CID 145492836) is ethane;4-methyl-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for ethane;4-methyl-3H-pyridin-3-ide;yttrium?
The canonical SMILES for ethane;4-methyl-3H-pyridin-3-ide;yttrium is CC.Cc1[c-]cncc1.[Y].
What is the InChIKey of ethane;4-methyl-3H-pyridin-3-ide;yttrium?
The InChIKey is IPJOLKNTHXKPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.C2H6.Y/c1-6-2-4-7-5-3-6;1-2;/h2,4-5H,1H3;1-2H3;/q-1;;.
What are the key properties of ethane;4-methyl-3H-pyridin-3-ide;yttrium?
ethane;4-methyl-3H-pyridin-3-ide;yttrium has a molecular weight of 211.10 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 145492836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).