cobalt;3-nitro-1H-pyrimidine-2,4-dione

C4H3CoN3O4 — CID 175023930

IUPACcobalt;3-nitro-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1[N+](=O)[O-].[Co]
InChIInChI=1S/C4H3N3O4.Co/c8-3-1-2-5-4(9)6(3)7(10)11;/h1-2H,(H,5,9);
InChIKeyCWCFWWLXRINXCN-UHFFFAOYSA-N
MW216.02 g/mol
LogP-1.43
Rot. Bonds1

About cobalt;3-nitro-1H-pyrimidine-2,4-dione

cobalt;3-nitro-1H-pyrimidine-2,4-dione (PubChem CID 175023930) has the molecular formula C4H3CoN3O4 and a molecular weight of 216.02 g/mol. Its IUPAC name is cobalt;3-nitro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Namecobalt;3-nitro-1H-pyrimidine-2,4-dione
PubChem CID175023930
Molecular FormulaC4H3CoN3O4
Molecular Weight216.02 g/mol
Exact Mass215.95
IUPAC Namecobalt;3-nitro-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1[N+](=O)[O-].[Co]
InChIInChI=1S/C4H3N3O4.Co/c8-3-1-2-5-4(9)6(3)7(10)11;/h1-2H,(H,5,9);
InChIKeyCWCFWWLXRINXCN-UHFFFAOYSA-N
XLogP-1.43
TPSA98.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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;3-nitro-1H-pyrimidine-2,4-dione?
The IUPAC name of cobalt;3-nitro-1H-pyrimidine-2,4-dione (CID 175023930) is cobalt;3-nitro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for cobalt;3-nitro-1H-pyrimidine-2,4-dione?
The canonical SMILES for cobalt;3-nitro-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1[N+](=O)[O-].[Co].
What is the InChIKey of cobalt;3-nitro-1H-pyrimidine-2,4-dione?
The InChIKey is CWCFWWLXRINXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3O4.Co/c8-3-1-2-5-4(9)6(3)7(10)11;/h1-2H,(H,5,9);.
What are the key properties of cobalt;3-nitro-1H-pyrimidine-2,4-dione?
cobalt;3-nitro-1H-pyrimidine-2,4-dione has a molecular weight of 216.02 g/mol, XLogP of -1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;3-nitro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 175023930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).