3,4-diethyl-2H-pyridin-2-ide;nickel

C9H12NNi- — CID 88771141

IUPAC3,4-diethyl-2H-pyridin-2-ide;nickel
SMILESCCc1[c-]nccc1CC.[Ni]
InChIInChI=1S/C9H12N.Ni/c1-3-8-5-6-10-7-9(8)4-2;/h5-6H,3-4H2,1-2H3;/q-1;
InChIKeyONPHVXUDZAUCMW-UHFFFAOYSA-N
MW192.90 g/mol
LogP2.00
Rot. Bonds2

About 3,4-diethyl-2H-pyridin-2-ide;nickel

3,4-diethyl-2H-pyridin-2-ide;nickel (PubChem CID 88771141) has the molecular formula C9H12NNi- and a molecular weight of 192.90 g/mol. Its IUPAC name is 3,4-diethyl-2H-pyridin-2-ide;nickel.

Molecular Properties

Compound Name3,4-diethyl-2H-pyridin-2-ide;nickel
PubChem CID88771141
Molecular FormulaC9H12NNi-
Molecular Weight192.90 g/mol
Exact Mass192.03
IUPAC Name3,4-diethyl-2H-pyridin-2-ide;nickel
SMILESCCc1[c-]nccc1CC.[Ni]
InChIInChI=1S/C9H12N.Ni/c1-3-8-5-6-10-7-9(8)4-2;/h5-6H,3-4H2,1-2H3;/q-1;
InChIKeyONPHVXUDZAUCMW-UHFFFAOYSA-N
XLogP2.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.90
LogP ≤ 52.00
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 3,4-diethyl-2H-pyridin-2-ide;nickel?
The IUPAC name of 3,4-diethyl-2H-pyridin-2-ide;nickel (CID 88771141) is 3,4-diethyl-2H-pyridin-2-ide;nickel.
What is the SMILES notation for 3,4-diethyl-2H-pyridin-2-ide;nickel?
The canonical SMILES for 3,4-diethyl-2H-pyridin-2-ide;nickel is CCc1[c-]nccc1CC.[Ni].
What is the InChIKey of 3,4-diethyl-2H-pyridin-2-ide;nickel?
The InChIKey is ONPHVXUDZAUCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Ni/c1-3-8-5-6-10-7-9(8)4-2;/h5-6H,3-4H2,1-2H3;/q-1;.
What are the key properties of 3,4-diethyl-2H-pyridin-2-ide;nickel?
3,4-diethyl-2H-pyridin-2-ide;nickel has a molecular weight of 192.90 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-2H-pyridin-2-ide;nickel is sourced from PubChem (CID 88771141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).