ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)

C14H20N2Y2-2 — CID 162081028

IUPACethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)
SMILESCC.CC.[Y].[Y].[c-]1cccnc1.[c-]1ccncc1
InChIInChI=1S/2C5H4N.2C2H6.2Y/c2*1-2-4-6-5-3-1;2*1-2;;/h2-5H;1-2,4-5H;2*1-2H3;;/q2*-1;;;;
InChIKeyVKDAMQXYXKEEIC-UHFFFAOYSA-N
MW394.14 g/mol
LogP3.81
Rot. Bonds

About ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)

ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium) (PubChem CID 162081028) has the molecular formula C14H20N2Y2-2 and a molecular weight of 394.14 g/mol. Its IUPAC name is ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium).

Molecular Properties

Compound Nameethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)
PubChem CID162081028
Molecular FormulaC14H20N2Y2-2
Molecular Weight394.14 g/mol
Exact Mass393.98
IUPAC Nameethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)
SMILESCC.CC.[Y].[Y].[c-]1cccnc1.[c-]1ccncc1
InChIInChI=1S/2C5H4N.2C2H6.2Y/c2*1-2-4-6-5-3-1;2*1-2;;/h2-5H;1-2,4-5H;2*1-2H3;;/q2*-1;;;;
InChIKeyVKDAMQXYXKEEIC-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.14
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)?
The IUPAC name of ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium) (CID 162081028) is ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium).
What is the SMILES notation for ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)?
The canonical SMILES for ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium) is CC.CC.[Y].[Y].[c-]1cccnc1.[c-]1ccncc1.
What is the InChIKey of ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)?
The InChIKey is VKDAMQXYXKEEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N.2C2H6.2Y/c2*1-2-4-6-5-3-1;2*1-2;;/h2-5H;1-2,4-5H;2*1-2H3;;/q2*-1;;;;.
What are the key properties of ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium)?
ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium) has a molecular weight of 394.14 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3H-pyridin-3-ide;4H-pyridin-4-ide;bis(yttrium) is sourced from PubChem (CID 162081028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).