ethane;5-methanidylpyridine-2-carbonitrile;yttrium

C9H11N2Y- — CID 169217341

IUPACethane;5-methanidylpyridine-2-carbonitrile;yttrium
SMILESCC.[CH2-]c1ccc(C#N)nc1.[Y]
InChIInChI=1S/C7H5N2.C2H6.Y/c1-6-2-3-7(4-8)9-5-6;1-2;/h2-3,5H,1H2;1-2H3;/q-1;;
InChIKeyNXTMUUWQKNHGFZ-UHFFFAOYSA-N
MW236.11 g/mol
LogP2.16
Rot. Bonds

About ethane;5-methanidylpyridine-2-carbonitrile;yttrium

ethane;5-methanidylpyridine-2-carbonitrile;yttrium (PubChem CID 169217341) has the molecular formula C9H11N2Y- and a molecular weight of 236.11 g/mol. Its IUPAC name is ethane;5-methanidylpyridine-2-carbonitrile;yttrium.

Molecular Properties

Compound Nameethane;5-methanidylpyridine-2-carbonitrile;yttrium
PubChem CID169217341
Molecular FormulaC9H11N2Y-
Molecular Weight236.11 g/mol
Exact Mass236.00
IUPAC Nameethane;5-methanidylpyridine-2-carbonitrile;yttrium
SMILESCC.[CH2-]c1ccc(C#N)nc1.[Y]
InChIInChI=1S/C7H5N2.C2H6.Y/c1-6-2-3-7(4-8)9-5-6;1-2;/h2-3,5H,1H2;1-2H3;/q-1;;
InChIKeyNXTMUUWQKNHGFZ-UHFFFAOYSA-N
XLogP2.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 52.16
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 ethane;5-methanidylpyridine-2-carbonitrile;yttrium?
The IUPAC name of ethane;5-methanidylpyridine-2-carbonitrile;yttrium (CID 169217341) is ethane;5-methanidylpyridine-2-carbonitrile;yttrium.
What is the SMILES notation for ethane;5-methanidylpyridine-2-carbonitrile;yttrium?
The canonical SMILES for ethane;5-methanidylpyridine-2-carbonitrile;yttrium is CC.[CH2-]c1ccc(C#N)nc1.[Y].
What is the InChIKey of ethane;5-methanidylpyridine-2-carbonitrile;yttrium?
The InChIKey is NXTMUUWQKNHGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2.C2H6.Y/c1-6-2-3-7(4-8)9-5-6;1-2;/h2-3,5H,1H2;1-2H3;/q-1;;.
What are the key properties of ethane;5-methanidylpyridine-2-carbonitrile;yttrium?
ethane;5-methanidylpyridine-2-carbonitrile;yttrium has a molecular weight of 236.11 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methanidylpyridine-2-carbonitrile;yttrium is sourced from PubChem (CID 169217341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).