azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite

C5H16CoN6O2-4 — CID 5245681

IUPACazanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite
SMILESC1=CC[N-]CC1.O=N[O-].[Co+2].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C5H8N.Co.HNO2.4H2N/c1-2-4-6-5-3-1;;2-1-3;;;;/h1-2H,3-5H2;;(H,2,3);4*1H2/q-1;+2;;4*-1/p-1
InChIKeyNXAOLVICOVWTRU-UHFFFAOYSA-M
MW251.16 g/mol
LogP4.44
Rot. Bonds

About azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite

azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite (PubChem CID 5245681) has the molecular formula C5H16CoN6O2-4 and a molecular weight of 251.16 g/mol. Its IUPAC name is azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite.

Molecular Properties

Compound Nameazanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite
PubChem CID5245681
Molecular FormulaC5H16CoN6O2-4
Molecular Weight251.16 g/mol
Exact Mass251.07
IUPAC Nameazanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite
SMILESC1=CC[N-]CC1.O=N[O-].[Co+2].[NH2-].[NH2-].[NH2-].[NH2-]
InChIInChI=1S/C5H8N.Co.HNO2.4H2N/c1-2-4-6-5-3-1;;2-1-3;;;;/h1-2H,3-5H2;;(H,2,3);4*1H2/q-1;+2;;4*-1/p-1
InChIKeyNXAOLVICOVWTRU-UHFFFAOYSA-M
XLogP4.44
TPSA200.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite?
The IUPAC name of azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite (CID 5245681) is azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite.
What is the SMILES notation for azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite?
The canonical SMILES for azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite is C1=CC[N-]CC1.O=N[O-].[Co+2].[NH2-].[NH2-].[NH2-].[NH2-].
What is the InChIKey of azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite?
The InChIKey is NXAOLVICOVWTRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H8N.Co.HNO2.4H2N/c1-2-4-6-5-3-1;;2-1-3;;;;/h1-2H,3-5H2;;(H,2,3);4*1H2/q-1;+2;;4*-1/p-1.
What are the key properties of azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite?
azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite has a molecular weight of 251.16 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;cobalt(2+);3,6-dihydro-2H-pyridin-1-ide;nitrite is sourced from PubChem (CID 5245681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).