cobalt;bis(5-nitrotetrazole-5-carboxylic acid)

C4H2CoN10O8 — CID 163204022

IUPACcobalt;bis(5-nitrotetrazole-5-carboxylic acid)
SMILESO=C(O)C1([N+](=O)[O-])N=NN=N1.O=C(O)C1([N+](=O)[O-])N=NN=N1.[Co]
InChIInChI=1S/2C2HN5O4.Co/c2*8-1(9)2(7(10)11)3-5-6-4-2;/h2*(H,8,9);
InChIKeyKSPHTCNMWGOCFU-UHFFFAOYSA-N
MW377.06 g/mol
LogP-0.33
Rot. Bonds4

About cobalt;bis(5-nitrotetrazole-5-carboxylic acid)

cobalt;bis(5-nitrotetrazole-5-carboxylic acid) (PubChem CID 163204022) has the molecular formula C4H2CoN10O8 and a molecular weight of 377.06 g/mol. Its IUPAC name is cobalt;bis(5-nitrotetrazole-5-carboxylic acid).

Molecular Properties

Compound Namecobalt;bis(5-nitrotetrazole-5-carboxylic acid)
PubChem CID163204022
Molecular FormulaC4H2CoN10O8
Molecular Weight377.06 g/mol
Exact Mass376.94
IUPAC Namecobalt;bis(5-nitrotetrazole-5-carboxylic acid)
SMILESO=C(O)C1([N+](=O)[O-])N=NN=N1.O=C(O)C1([N+](=O)[O-])N=NN=N1.[Co]
InChIInChI=1S/2C2HN5O4.Co/c2*8-1(9)2(7(10)11)3-5-6-4-2;/h2*(H,8,9);
InChIKeyKSPHTCNMWGOCFU-UHFFFAOYSA-N
XLogP-0.33
TPSA259.76 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.06
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 cobalt;bis(5-nitrotetrazole-5-carboxylic acid)?
The IUPAC name of cobalt;bis(5-nitrotetrazole-5-carboxylic acid) (CID 163204022) is cobalt;bis(5-nitrotetrazole-5-carboxylic acid).
What is the SMILES notation for cobalt;bis(5-nitrotetrazole-5-carboxylic acid)?
The canonical SMILES for cobalt;bis(5-nitrotetrazole-5-carboxylic acid) is O=C(O)C1([N+](=O)[O-])N=NN=N1.O=C(O)C1([N+](=O)[O-])N=NN=N1.[Co].
What is the InChIKey of cobalt;bis(5-nitrotetrazole-5-carboxylic acid)?
The InChIKey is KSPHTCNMWGOCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2HN5O4.Co/c2*8-1(9)2(7(10)11)3-5-6-4-2;/h2*(H,8,9);.
What are the key properties of cobalt;bis(5-nitrotetrazole-5-carboxylic acid)?
cobalt;bis(5-nitrotetrazole-5-carboxylic acid) has a molecular weight of 377.06 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(5-nitrotetrazole-5-carboxylic acid) is sourced from PubChem (CID 163204022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).