magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate

C12H6MgN2O4 — CID 174186060

IUPACmagnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate
SMILESO=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Mg+2]
InChIInChI=1S/C12H8N2O4.Mg/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h1-6H,(H,15,16)(H,17,18);/q;+2/p-2
InChIKeyUJXQBNBMFNEPBJ-UHFFFAOYSA-L
MW266.50 g/mol
LogP-1.51
Rot. Bonds3

About magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate

magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate (PubChem CID 174186060) has the molecular formula C12H6MgN2O4 and a molecular weight of 266.50 g/mol. Its IUPAC name is magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemagnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate
PubChem CID174186060
Molecular FormulaC12H6MgN2O4
Molecular Weight266.50 g/mol
Exact Mass266.02
IUPAC Namemagnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate
SMILESO=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Mg+2]
InChIInChI=1S/C12H8N2O4.Mg/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h1-6H,(H,15,16)(H,17,18);/q;+2/p-2
InChIKeyUJXQBNBMFNEPBJ-UHFFFAOYSA-L
XLogP-1.51
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate?
The IUPAC name of magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate (CID 174186060) is magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate.
What is the SMILES notation for magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate?
The canonical SMILES for magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate is O=C([O-])c1ccnc(-c2cc(C(=O)[O-])ccn2)c1.[Mg+2].
What is the InChIKey of magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate?
The InChIKey is UJXQBNBMFNEPBJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2O4.Mg/c15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;/h1-6H,(H,15,16)(H,17,18);/q;+2/p-2.
What are the key properties of magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate?
magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate has a molecular weight of 266.50 g/mol, XLogP of -1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium 2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate is sourced from PubChem (CID 174186060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).