5-tert-butyl-3H-pyridin-3-ide;yttrium

C9H12NY- — CID 59698764

IUPAC5-tert-butyl-3H-pyridin-3-ide;yttrium
SMILESCC(C)(C)c1c[c-]cnc1.[Y]
InChIInChI=1S/C9H12N.Y/c1-9(2,3)8-5-4-6-10-7-8;/h5-7H,1-3H3;/q-1;
InChIKeyOEHGDKQKRWZIOI-UHFFFAOYSA-N
MW223.11 g/mol
LogP2.18
Rot. Bonds

About 5-tert-butyl-3H-pyridin-3-ide;yttrium

5-tert-butyl-3H-pyridin-3-ide;yttrium (PubChem CID 59698764) has the molecular formula C9H12NY- and a molecular weight of 223.11 g/mol. Its IUPAC name is 5-tert-butyl-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name5-tert-butyl-3H-pyridin-3-ide;yttrium
PubChem CID59698764
Molecular FormulaC9H12NY-
Molecular Weight223.11 g/mol
Exact Mass223.00
IUPAC Name5-tert-butyl-3H-pyridin-3-ide;yttrium
SMILESCC(C)(C)c1c[c-]cnc1.[Y]
InChIInChI=1S/C9H12N.Y/c1-9(2,3)8-5-4-6-10-7-8;/h5-7H,1-3H3;/q-1;
InChIKeyOEHGDKQKRWZIOI-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'}

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Related Compounds

6-Fluoro-3,4,4-trimethylazepine
CID 142596710
3-methyl-5-propan-2-yl-2H-pyridin-2-ide;yttrium
CID 57554353
3-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708296
4-tert-butyl-2H-pyridin-2-ide;rhenium
CID 57708313
potassium 5-tert-butyl-2H-pyridin-2-ide
CID 57882004
5-(3,3-dimethylbutyl)-3H-pyridin-3-ide;2-methylpropane;bis(vanadium);vanadium(2+)
CID 58055247
3-Propan-2-yl-2,5-dihydropyridine-2,5-diide;bis(rhodium)
CID 58126723
5-propan-2-yl-3H-pyridin-3-ide;rhodium
CID 58126788
4-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 58365304
3-propan-2-yl-2H-pyridin-2-ide;yttrium
CID 58365508
5-methyl-3H-pyridin-3-ide;yttrium
CID 58618531
propane;5-propan-2-yl-3H-pyridin-3-ide;vanadium(2+)
CID 58748040

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3H-pyridin-3-ide;yttrium?
The IUPAC name of 5-tert-butyl-3H-pyridin-3-ide;yttrium (CID 59698764) is 5-tert-butyl-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 5-tert-butyl-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 5-tert-butyl-3H-pyridin-3-ide;yttrium is CC(C)(C)c1c[c-]cnc1.[Y].
What is the InChIKey of 5-tert-butyl-3H-pyridin-3-ide;yttrium?
The InChIKey is OEHGDKQKRWZIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Y/c1-9(2,3)8-5-4-6-10-7-8;/h5-7H,1-3H3;/q-1;.
What are the key properties of 5-tert-butyl-3H-pyridin-3-ide;yttrium?
5-tert-butyl-3H-pyridin-3-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 5-tert-butyl-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 59698764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).