3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium

C9H9N2Y- — CID 59297075

IUPAC3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium
SMILESCc1[c-]nc(C)c(C#N)c1C.[Y]
InChIInChI=1S/C9H9N2.Y/c1-6-5-11-8(3)9(4-10)7(6)2;/h1-3H3;/q-1;
InChIKeyNHXNKRZNMJUPIA-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.68
Rot. Bonds

About 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium

3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium (PubChem CID 59297075) has the molecular formula C9H9N2Y- and a molecular weight of 234.09 g/mol. Its IUPAC name is 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium.

Molecular Properties

Compound Name3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium
PubChem CID59297075
Molecular FormulaC9H9N2Y-
Molecular Weight234.09 g/mol
Exact Mass233.98
IUPAC Name3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium
SMILESCc1[c-]nc(C)c(C#N)c1C.[Y]
InChIInChI=1S/C9H9N2.Y/c1-6-5-11-8(3)9(4-10)7(6)2;/h1-3H3;/q-1;
InChIKeyNHXNKRZNMJUPIA-UHFFFAOYSA-N
XLogP1.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium
CID 59117714
3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium
CID 60037952
carbanide;3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium
CID 60098570
2-(C,N-dimethylcarbonimidoyl)-3-methylbut-2-enenitrile
CID 143444705
carbanide;3-methyl-2H-pyridin-2-ide-6-carbonitrile;yttrium
CID 153622535
[(4E)-4-(1-cyanopropylidene)-2,5-dimethylcyclohexa-2,5-dien-1-ylidene]cyanamide
CID 163864159
3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium(3+)
CID 20607394
carbanide;3,4,5,6-tetramethyl-2H-pyridin-2-ide;yttrium(3+)
CID 20740581
3-ethyl-5,6-dimethyl-4H-pyridin-4-ide-2-carbonitrile;yttrium(3+)
CID 23395994

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium?
The IUPAC name of 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium (CID 59297075) is 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium.
What is the SMILES notation for 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium?
The canonical SMILES for 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium is Cc1[c-]nc(C)c(C#N)c1C.[Y].
What is the InChIKey of 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium?
The InChIKey is NHXNKRZNMJUPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2.Y/c1-6-5-11-8(3)9(4-10)7(6)2;/h1-3H3;/q-1;.
What are the key properties of 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium?
3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium has a molecular weight of 234.09 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-2H-pyridin-2-ide-5-carbonitrile;yttrium is sourced from PubChem (CID 59297075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).