cobalt;2,4,6-trinitrophenol

C6H3CoN3O7 — CID 88826081

IUPACcobalt;2,4,6-trinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.[Co]
InChIInChI=1S/C6H3N3O7.Co/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;
InChIKeyDLRYUFQRVJPTMM-UHFFFAOYSA-N
MW288.04 g/mol
LogP1.11
Rot. Bonds3

About cobalt;2,4,6-trinitrophenol

cobalt;2,4,6-trinitrophenol (PubChem CID 88826081) has the molecular formula C6H3CoN3O7 and a molecular weight of 288.04 g/mol. Its IUPAC name is cobalt;2,4,6-trinitrophenol.

Molecular Properties

Compound Namecobalt;2,4,6-trinitrophenol
PubChem CID88826081
Molecular FormulaC6H3CoN3O7
Molecular Weight288.04 g/mol
Exact Mass287.93
IUPAC Namecobalt;2,4,6-trinitrophenol
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.[Co]
InChIInChI=1S/C6H3N3O7.Co/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;
InChIKeyDLRYUFQRVJPTMM-UHFFFAOYSA-N
XLogP1.11
TPSA149.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

thorium;2,4,6-trinitrophenol
CID 88723018
manganese;bis(2,4,6-trinitrophenol)
CID 131879151
titanium;tetrakis(2,4,6-trinitrophenol)
CID 175054734
titanium;2,4,6-trinitrophenol
CID 175328132
CID 87277719
CID 87277719
alumane;2,4,6-trinitrophenol;hydrate
CID 173341136
barium(2+);hydride;2,4,6-trinitrophenol
CID 173341172
2-hydroxy-3,5-dinitrobenzoic acid
CID 11873
CID 45157719
CID 45157719
sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
1,8-diazabicyclo[6.4.3]pentadecane;2,4,6-trinitrophenol
CID 71337810
2-hydroxy-N,N-dimethyl-3,5-dinitrobenzamide
CID 3428904

Frequently Asked Questions

What is the IUPAC name of cobalt;2,4,6-trinitrophenol?
The IUPAC name of cobalt;2,4,6-trinitrophenol (CID 88826081) is cobalt;2,4,6-trinitrophenol.
What is the SMILES notation for cobalt;2,4,6-trinitrophenol?
The canonical SMILES for cobalt;2,4,6-trinitrophenol is O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1.[Co].
What is the InChIKey of cobalt;2,4,6-trinitrophenol?
The InChIKey is DLRYUFQRVJPTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O7.Co/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;/h1-2,10H;.
What are the key properties of cobalt;2,4,6-trinitrophenol?
cobalt;2,4,6-trinitrophenol has a molecular weight of 288.04 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2,4,6-trinitrophenol is sourced from PubChem (CID 88826081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).