4-tert-butyl-2H-pyridin-2-ide;yttrium

C9H12NY- — CID 59698785

IUPAC4-tert-butyl-2H-pyridin-2-ide;yttrium
SMILESCC(C)(C)c1c[c-]ncc1.[Y]
InChIInChI=1S/C9H12N.Y/c1-9(2,3)8-4-6-10-7-5-8;/h4-6H,1-3H3;/q-1;
InChIKeySKGVVIKPBGWREB-UHFFFAOYSA-N
MW223.11 g/mol
LogP2.18
Rot. Bonds

About 4-tert-butyl-2H-pyridin-2-ide;yttrium

4-tert-butyl-2H-pyridin-2-ide;yttrium (PubChem CID 59698785) has the molecular formula C9H12NY- and a molecular weight of 223.11 g/mol. Its IUPAC name is 4-tert-butyl-2H-pyridin-2-ide;yttrium.

Molecular Properties

Compound Name4-tert-butyl-2H-pyridin-2-ide;yttrium
PubChem CID59698785
Molecular FormulaC9H12NY-
Molecular Weight223.11 g/mol
Exact Mass223.00
IUPAC Name4-tert-butyl-2H-pyridin-2-ide;yttrium
SMILESCC(C)(C)c1c[c-]ncc1.[Y]
InChIInChI=1S/C9H12N.Y/c1-9(2,3)8-4-6-10-7-5-8;/h4-6H,1-3H3;/q-1;
InChIKeySKGVVIKPBGWREB-UHFFFAOYSA-N
XLogP2.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2H-pyridin-2-ide;yttrium 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

Bis(4-t-butylpyridin-2-yl)calcium
CID 129858080
3-methyl-5-propan-2-yl-2H-pyridin-2-ide;yttrium
CID 57554353
4-ethyl-2-methyl-3H-pyridin-3-ide;yttrium
CID 57575179
3-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708296
4-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708313
5-ethyl-2-methyl-3H-pyridin-3-ide;yttrium
CID 57779809
carbanide;5-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856119
carbanide;4-propan-2-yl-2H-pyridin-2-ide;tungsten(2+)
CID 57856127
potassium 5-tert-butyl-2H-pyridin-2-ide
CID 57882004
methylbenzene;2-methyl-4H-pyridin-4-ide;yttrium
CID 57961612
5-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055184
4-(3,3-dimethylbutyl)-2H-pyridin-2-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055339

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2H-pyridin-2-ide;yttrium?
The IUPAC name of 4-tert-butyl-2H-pyridin-2-ide;yttrium (CID 59698785) is 4-tert-butyl-2H-pyridin-2-ide;yttrium.
What is the SMILES notation for 4-tert-butyl-2H-pyridin-2-ide;yttrium?
The canonical SMILES for 4-tert-butyl-2H-pyridin-2-ide;yttrium is CC(C)(C)c1c[c-]ncc1.[Y].
What is the InChIKey of 4-tert-butyl-2H-pyridin-2-ide;yttrium?
The InChIKey is SKGVVIKPBGWREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Y/c1-9(2,3)8-4-6-10-7-5-8;/h4-6H,1-3H3;/q-1;.
What are the key properties of 4-tert-butyl-2H-pyridin-2-ide;yttrium?
4-tert-butyl-2H-pyridin-2-ide;yttrium has a molecular weight of 223.11 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2H-pyridin-2-ide;yttrium is sourced from PubChem (CID 59698785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).