cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate

C10H6CoN4O8 — CID 136705172

IUPACcobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c([O-])n1.[Co+2]
InChIInChI=1S/2C5H4N2O4.Co/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyNFPPGRBGKMLOFD-UHFFFAOYSA-L
MW369.11 g/mol
LogP-4.03
Rot. Bonds2

About cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate

cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 136705172) has the molecular formula C10H6CoN4O8 and a molecular weight of 369.11 g/mol. Its IUPAC name is cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namecobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID136705172
Molecular FormulaC10H6CoN4O8
Molecular Weight369.11 g/mol
Exact Mass368.95
IUPAC Namecobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
SMILESO=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c([O-])n1.[Co+2]
InChIInChI=1S/2C5H4N2O4.Co/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2
InChIKeyNFPPGRBGKMLOFD-UHFFFAOYSA-L
XLogP-4.03
TPSA211.96 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.11
LogP ≤ 5-4.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate with MolForge

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Related Compounds

bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc
CID 71307492
2-carbamimidoyl-1,1-dimethylguanidine;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 176534008
C10H6N4O8Zn
CID 136672228
Metformin orotate
CID 124097
bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid);zinc;dihydrate
CID 71307491
C10H6MgN4O8
CID 136794844
Cobalt 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate (1:2)
CID 44144693
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;manganese(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
CID 136705173
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;iron(2+);2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
CID 136794845
copper;2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate
CID 170844665
CID 66684517
CID 66684517
copper;bis(2,4-dioxo-1H-pyrimidine-6-carboxylic acid)
CID 129628463

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate (CID 136705172) is cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate is O=C(O)c1cc(=O)[nH]c(=O)[nH]1.O=C([O-])c1cc(=O)[nH]c([O-])n1.[Co+2].
What is the InChIKey of cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is NFPPGRBGKMLOFD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H4N2O4.Co/c2*8-3-1-2(4(9)10)6-5(11)7-3;/h2*1H,(H,9,10)(H2,6,7,8,11);/q;;+2/p-2.
What are the key properties of cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate?
cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 369.11 g/mol, XLogP of -4.03, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);2,4-dioxo-1H-pyrimidine-6-carboxylic acid;2-oxido-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 136705172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).