1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium

C8H11NY — CID 58681573

IUPAC1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium
SMILESCC(C)[n+]1[c-]cccc1.[Y]
InChIInChI=1S/C8H11N.Y/c1-8(2)9-6-4-3-5-7-9;/h3-6,8H,1-2H3;
InChIKeyUXSNEZLEMVDXNK-UHFFFAOYSA-N
MW210.09 g/mol
LogP1.35
Rot. Bonds1

About 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium

1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium (PubChem CID 58681573) has the molecular formula C8H11NY and a molecular weight of 210.09 g/mol. Its IUPAC name is 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium.

Molecular Properties

Compound Name1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium
PubChem CID58681573
Molecular FormulaC8H11NY
Molecular Weight210.09 g/mol
Exact Mass209.99
IUPAC Name1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium
SMILESCC(C)[n+]1[c-]cccc1.[Y]
InChIInChI=1S/C8H11N.Y/c1-8(2)9-6-4-3-5-7-9;/h3-6,8H,1-2H3;
InChIKeyUXSNEZLEMVDXNK-UHFFFAOYSA-N
XLogP1.35
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium?
The IUPAC name of 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium (CID 58681573) is 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium.
What is the SMILES notation for 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium?
The canonical SMILES for 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium is CC(C)[n+]1[c-]cccc1.[Y].
What is the InChIKey of 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium?
The InChIKey is UXSNEZLEMVDXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.Y/c1-8(2)9-6-4-3-5-7-9;/h3-6,8H,1-2H3;.
What are the key properties of 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium?
1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium has a molecular weight of 210.09 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2H-pyridin-1-ium-2-ide;yttrium is sourced from PubChem (CID 58681573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).