6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+)

C24H13CoN4O8 — CID 139083422

IUPAC6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+)
SMILESO=C([O-])c1cccc(-c2cccc(C(=O)O)n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Co+3]
InChIInChI=1S/2C12H8N2O4.Co/c2*15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;/h2*1-6H,(H,15,16)(H,17,18);/q;;+3/p-3
InChIKeyVYRRJTYPQCVMKJ-UHFFFAOYSA-K
MW544.32 g/mol
LogP-0.93
Rot. Bonds6

About 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+)

6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+) (PubChem CID 139083422) has the molecular formula C24H13CoN4O8 and a molecular weight of 544.32 g/mol. Its IUPAC name is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+).

Molecular Properties

Compound Name6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+)
PubChem CID139083422
Molecular FormulaC24H13CoN4O8
Molecular Weight544.32 g/mol
Exact Mass544.01
IUPAC Name6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+)
SMILESO=C([O-])c1cccc(-c2cccc(C(=O)O)n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Co+3]
InChIInChI=1S/2C12H8N2O4.Co/c2*15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;/h2*1-6H,(H,15,16)(H,17,18);/q;;+3/p-3
InChIKeyVYRRJTYPQCVMKJ-UHFFFAOYSA-K
XLogP-0.93
TPSA209.25 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.32
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 134817533
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 134817536
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 134817537
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 134817538
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 134817539
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 135567231
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 135567441
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium
CID 138403149
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 138403150
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid;terbium(3+)
CID 155289233
12-Oxidanyl-9,11$l^{3}-dioxa-1$l^{4},19$l^{4},22,27$l^{4},28$l^{4}-pentaza-10$l^{6}-lutetaoctacyclo[17.5.2.1^{3,7}.1^{10,13}.0^{1,10}.0^{10,19}.0^{10,28}.0^{17,27}]octacosa-3,5,7(28),11,13,15,17(27)-heptaen-8-one
CID 164607221
6-[[4-[(6-Carboxy-2-pyridinyl)methyl]-1,4-diaza-7-azanidacyclonon-1-yl]methyl]pyridine-2-carboxylic acid;lutetium(3+)
CID 164664479

Frequently Asked Questions

What is the IUPAC name of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+)?
The IUPAC name of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+) (CID 139083422) is 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+).
What is the SMILES notation for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+)?
The canonical SMILES for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+) is O=C([O-])c1cccc(-c2cccc(C(=O)O)n2)n1.O=C([O-])c1cccc(-c2cccc(C(=O)[O-])n2)n1.[Co+3].
What is the InChIKey of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+)?
The InChIKey is VYRRJTYPQCVMKJ-UHFFFAOYSA-K. The full InChI is InChI=1S/2C12H8N2O4.Co/c2*15-11(16)9-5-1-3-7(13-9)8-4-2-6-10(14-8)12(17)18;/h2*1-6H,(H,15,16)(H,17,18);/q;;+3/p-3.
What are the key properties of 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+)?
6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+) has a molecular weight of 544.32 g/mol, XLogP of -0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-carboxylato-2-pyridinyl)pyridine-2-carboxylate;6-(6-carboxy-2-pyridinyl)pyridine-2-carboxylate;cobalt(3+) is sourced from PubChem (CID 139083422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).