4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium

C7H5N2Y- — CID 59596655

IUPAC4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium
SMILESCc1[c-]cncc1C#N.[Y]
InChIInChI=1S/C7H5N2.Y/c1-6-2-3-9-5-7(6)4-8;/h3,5H,1H3;/q-1;
InChIKeyVZCGWMLQZRMLOO-UHFFFAOYSA-N
MW206.04 g/mol
LogP1.06
Rot. Bonds

About 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium

4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium (PubChem CID 59596655) has the molecular formula C7H5N2Y- and a molecular weight of 206.04 g/mol. Its IUPAC name is 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium.

Molecular Properties

Compound Name4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium
PubChem CID59596655
Molecular FormulaC7H5N2Y-
Molecular Weight206.04 g/mol
Exact Mass205.95
IUPAC Name4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium
SMILESCc1[c-]cncc1C#N.[Y]
InChIInChI=1S/C7H5N2.Y/c1-6-2-3-9-5-7(6)4-8;/h3,5H,1H3;/q-1;
InChIKeyVZCGWMLQZRMLOO-UHFFFAOYSA-N
XLogP1.06
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium?
The IUPAC name of 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium (CID 59596655) is 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium.
What is the SMILES notation for 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium?
The canonical SMILES for 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium is Cc1[c-]cncc1C#N.[Y].
What is the InChIKey of 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium?
The InChIKey is VZCGWMLQZRMLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2.Y/c1-6-2-3-9-5-7(6)4-8;/h3,5H,1H3;/q-1;.
What are the key properties of 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium?
4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium has a molecular weight of 206.04 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-pyridin-3-ide-5-carbonitrile;yttrium is sourced from PubChem (CID 59596655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).