2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)

C8H6NY+2 — CID 20739775

IUPAC2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)
SMILESCc1ccc[c-]c1C#N.[Y+3]
InChIInChI=1S/C8H6N.Y/c1-7-4-2-3-5-8(7)6-9;/h2-4H,1H3;/q-1;+3
InChIKeyFALGFTQREBZYMT-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.66
Rot. Bonds

About 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)

2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+) (PubChem CID 20739775) has the molecular formula C8H6NY+2 and a molecular weight of 205.05 g/mol. Its IUPAC name is 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+).

Molecular Properties

Compound Name2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)
PubChem CID20739775
Molecular FormulaC8H6NY+2
Molecular Weight205.05 g/mol
Exact Mass204.95
IUPAC Name2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)
SMILESCc1ccc[c-]c1C#N.[Y+3]
InChIInChI=1S/C8H6N.Y/c1-7-4-2-3-5-8(7)6-9;/h2-4H,1H3;/q-1;+3
InChIKeyFALGFTQREBZYMT-UHFFFAOYSA-N
XLogP1.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylbenzene-6-id-1-amine;vanadium
CID 155699950
magnesium;1,2-dimethylbenzene-6-ide;iodide
CID 87227373
magnesium;1,2-dimethylbenzene-6-ide;chloride
CID 78061659
methanamine;2-methylbenzonitrile
CID 144641248
5-fluoro-2-methylbenzene-6-ide-1-carbonitrile;rhenium
CID 164593271
2-methylbenzonitrile
CID 162098401
azane;2-methylbenzonitrile
CID 158673628
1,2-dimethylbenzene-5-ide;1,2-dimethylbenzene-6-ide;yttrium
CID 154612836
2-amino-6-methylbenzonitrile;ethane
CID 164904428
4-chloro-2-(2-chloro-6-methylphenyl)benzonitrile
CID 66252389
5-(2,6-dimethylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
CID 144713865
3-methyl-2-(3-methylphenyl)benzonitrile
CID 172915333

Frequently Asked Questions

What is the IUPAC name of 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)?
The IUPAC name of 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+) (CID 20739775) is 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+).
What is the SMILES notation for 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)?
The canonical SMILES for 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+) is Cc1ccc[c-]c1C#N.[Y+3].
What is the InChIKey of 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)?
The InChIKey is FALGFTQREBZYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N.Y/c1-7-4-2-3-5-8(7)6-9;/h2-4H,1H3;/q-1;+3.
What are the key properties of 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+)?
2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+) has a molecular weight of 205.05 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzene-6-ide-1-carbonitrile;yttrium(3+) is sourced from PubChem (CID 20739775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).