6-but-1-ynyl-3H-pyridin-3-ide;yttrium

C9H8NY- — CID 59034753

IUPAC6-but-1-ynyl-3H-pyridin-3-ide;yttrium
SMILESCCC#Cc1cc[c-]cn1.[Y]
InChIInChI=1S/C9H8N.Y/c1-2-3-6-9-7-4-5-8-10-9;/h4,7-8H,2H2,1H3;/q-1;
InChIKeyHBJLEBHBISEMAX-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.64
Rot. Bonds

About 6-but-1-ynyl-3H-pyridin-3-ide;yttrium

6-but-1-ynyl-3H-pyridin-3-ide;yttrium (PubChem CID 59034753) has the molecular formula C9H8NY- and a molecular weight of 219.08 g/mol. Its IUPAC name is 6-but-1-ynyl-3H-pyridin-3-ide;yttrium.

Molecular Properties

Compound Name6-but-1-ynyl-3H-pyridin-3-ide;yttrium
PubChem CID59034753
Molecular FormulaC9H8NY-
Molecular Weight219.08 g/mol
Exact Mass218.97
IUPAC Name6-but-1-ynyl-3H-pyridin-3-ide;yttrium
SMILESCCC#Cc1cc[c-]cn1.[Y]
InChIInChI=1S/C9H8N.Y/c1-2-3-6-9-7-4-5-8-10-9;/h4,7-8H,2H2,1H3;/q-1;
InChIKeyHBJLEBHBISEMAX-UHFFFAOYSA-N
XLogP1.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-but-1-ynyl-3H-pyridin-3-ide;yttrium?
The IUPAC name of 6-but-1-ynyl-3H-pyridin-3-ide;yttrium (CID 59034753) is 6-but-1-ynyl-3H-pyridin-3-ide;yttrium.
What is the SMILES notation for 6-but-1-ynyl-3H-pyridin-3-ide;yttrium?
The canonical SMILES for 6-but-1-ynyl-3H-pyridin-3-ide;yttrium is CCC#Cc1cc[c-]cn1.[Y].
What is the InChIKey of 6-but-1-ynyl-3H-pyridin-3-ide;yttrium?
The InChIKey is HBJLEBHBISEMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N.Y/c1-2-3-6-9-7-4-5-8-10-9;/h4,7-8H,2H2,1H3;/q-1;.
What are the key properties of 6-but-1-ynyl-3H-pyridin-3-ide;yttrium?
6-but-1-ynyl-3H-pyridin-3-ide;yttrium has a molecular weight of 219.08 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-ynyl-3H-pyridin-3-ide;yttrium is sourced from PubChem (CID 59034753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).