6-ethyl-3H-pyridin-3-ide;propane;yttrium

C10H15NY-2 — CID 58257500

IUPAC6-ethyl-3H-pyridin-3-ide;propane;yttrium
SMILESCCc1cc[c-]cn1.[CH2-]CC.[Y]
InChIInChI=1S/C7H8N.C3H7.Y/c1-2-7-5-3-4-6-8-7;1-3-2;/h3,5-6H,2H2,1H3;1,3H2,2H3;/q2*-1;
InChIKeyAPAMHRJGIQDAIT-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.67
Rot. Bonds1

About 6-ethyl-3H-pyridin-3-ide;propane;yttrium

6-ethyl-3H-pyridin-3-ide;propane;yttrium (PubChem CID 58257500) has the molecular formula C10H15NY-2 and a molecular weight of 238.14 g/mol. Its IUPAC name is 6-ethyl-3H-pyridin-3-ide;propane;yttrium.

Molecular Properties

Compound Name6-ethyl-3H-pyridin-3-ide;propane;yttrium
PubChem CID58257500
Molecular FormulaC10H15NY-2
Molecular Weight238.14 g/mol
Exact Mass238.03
IUPAC Name6-ethyl-3H-pyridin-3-ide;propane;yttrium
SMILESCCc1cc[c-]cn1.[CH2-]CC.[Y]
InChIInChI=1S/C7H8N.C3H7.Y/c1-2-7-5-3-4-6-8-7;1-3-2;/h3,5-6H,2H2,1H3;1,3H2,2H3;/q2*-1;
InChIKeyAPAMHRJGIQDAIT-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3H-pyridin-3-ide;propane;yttrium?
The IUPAC name of 6-ethyl-3H-pyridin-3-ide;propane;yttrium (CID 58257500) is 6-ethyl-3H-pyridin-3-ide;propane;yttrium.
What is the SMILES notation for 6-ethyl-3H-pyridin-3-ide;propane;yttrium?
The canonical SMILES for 6-ethyl-3H-pyridin-3-ide;propane;yttrium is CCc1cc[c-]cn1.[CH2-]CC.[Y].
What is the InChIKey of 6-ethyl-3H-pyridin-3-ide;propane;yttrium?
The InChIKey is APAMHRJGIQDAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.C3H7.Y/c1-2-7-5-3-4-6-8-7;1-3-2;/h3,5-6H,2H2,1H3;1,3H2,2H3;/q2*-1;.
What are the key properties of 6-ethyl-3H-pyridin-3-ide;propane;yttrium?
6-ethyl-3H-pyridin-3-ide;propane;yttrium has a molecular weight of 238.14 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3H-pyridin-3-ide;propane;yttrium is sourced from PubChem (CID 58257500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).