magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide

C60H39BrMgN10O15 — CID 159365309

IUPACmagnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide
SMILESO=C(O)c1cccnc1C(=O)c1ccccn1.O=C(O)c1cccnc1C(=O)c1ccccn1.O=C(c1ccccn1)c1cccnc1C(=O)O.O=C(c1ccccn1)c1cccnc1C(=O)O.O=C1OC(=O)c2ncccc21.[Br-].[Mg+2].[c-]1ccccn1
InChIInChI=1S/4C12H8N2O3.C7H3NO3.C5H4N.BrH.Mg/c2*15-11(9-5-1-2-6-13-9)10-8(12(16)17)4-3-7-14-10;2*15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17;9-6-4-2-1-3-8-5(4)7(10)11-6;1-2-4-6-5-3-1;;/h4*1-7H,(H,16,17);1-3H;1-4H;1H;/q;;;;;-1;;+2/p-1
InChIKeyWRRWJMKAJGHCMO-UHFFFAOYSA-M
MW1244.24 g/mol
LogP3.52
Rot. Bonds12

About magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide

magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide (PubChem CID 159365309) has the molecular formula C60H39BrMgN10O15 and a molecular weight of 1244.24 g/mol. Its IUPAC name is magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide.

Molecular Properties

Compound Namemagnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide
PubChem CID159365309
Molecular FormulaC60H39BrMgN10O15
Molecular Weight1244.24 g/mol
Exact Mass1242.16
IUPAC Namemagnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide
SMILESO=C(O)c1cccnc1C(=O)c1ccccn1.O=C(O)c1cccnc1C(=O)c1ccccn1.O=C(c1ccccn1)c1cccnc1C(=O)O.O=C(c1ccccn1)c1cccnc1C(=O)O.O=C1OC(=O)c2ncccc21.[Br-].[Mg+2].[c-]1ccccn1
InChIInChI=1S/4C12H8N2O3.C7H3NO3.C5H4N.BrH.Mg/c2*15-11(9-5-1-2-6-13-9)10-8(12(16)17)4-3-7-14-10;2*15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17;9-6-4-2-1-3-8-5(4)7(10)11-6;1-2-4-6-5-3-1;;/h4*1-7H,(H,16,17);1-3H;1-4H;1H;/q;;;;;-1;;+2/p-1
InChIKeyWRRWJMKAJGHCMO-UHFFFAOYSA-M
XLogP3.52
TPSA389.75 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001244.24
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide with MolForge

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Related Compounds

[(2R,3R,4R,5S)-2,3,4,5,6-pentakis[[6-(2-morpholin-4-ylethyl)pyridine-3-carbonyl]oxy]hexyl] 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate
CID 56592763
2,3-Dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine-3,4-dicarboxylic acid
CID 69493965
[(2R,3R,4S,5R)-2,4,5,6-tetrakis[[6-(2-morpholin-4-ylethyl)pyridine-3-carbonyl]oxy]-3-[2-[6-(2-morpholin-4-ylethyl)-3-pyridinyl]-2-oxoethyl]hexyl] 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate
CID 89931697
[(2R,3R,4S,5S)-2,3,4,5,6-pentakis[[6-(2-morpholin-4-ylethyl)pyridine-3-carbonyl]oxy]hexyl] 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate
CID 118697869
2-Acetylpyridine-3-carboxylic acid;3-(aminomethyl)pyridine-2-carboxylic acid;1-[3-(aminomethyl)-2-pyridinyl]ethanone;1-[3-(azidomethyl)-2-pyridinyl]ethanone;furo[3,4-b]pyridine-5,7-dione;1-[3-(hydroxymethyl)-2-pyridinyl]ethanone;3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
CID 157092967
2-[4-Carboxy-6-(4-carboxy-2-pyridinyl)-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;methyl 2-[4-methoxycarbonyl-6-(4-methoxycarbonyl-2-pyridinyl)-2-pyridinyl]-6-(4-methoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate
CID 157096850
6-(5-Carboxy-2-pyridinyl)pyridine-3-carboxylic acid;methyl 6-(5-acetyl-2-pyridinyl)pyridine-3-carboxylate;thionyl dichloride
CID 157147415
5-Methylpyridine-2-carboxylic acid;bis(5-methylpyridine-3-carboxylic acid);piperidin-4-yl 5-methylpyridine-3-carboxylate
CID 157412362
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylic acid;6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid;6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
CID 157443899
1-[5-(Azidomethyl)-2-pyridinyl]ethanone;6-cyanopyridine-3-carboxylic acid;ethane;5-ethylpyridine-2-carbonitrile;5-ethylpyridine-2-carboxylic acid
CID 157541727
4-Methylspiro[cyclohexane-1,5'-furo[3,4-b]pyridine]-7'-one;4-methylspiro[cyclohexane-1,7'-furo[3,4-b]pyridine]-5'-one;4-methylspiro[cyclohexane-1,1'-furo[3,4-c]pyridine]-3'-one;4-methylspiro[cyclohexane-1,3'-furo[3,4-c]pyridine]-1'-one
CID 157689417
Methyl 2-(pyridine-2-carbonyl)pyridine-3-carboxylate;2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid
CID 157838715

Frequently Asked Questions

What is the IUPAC name of magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide?
The IUPAC name of magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide (CID 159365309) is magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide.
What is the SMILES notation for magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide?
The canonical SMILES for magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide is O=C(O)c1cccnc1C(=O)c1ccccn1.O=C(O)c1cccnc1C(=O)c1ccccn1.O=C(c1ccccn1)c1cccnc1C(=O)O.O=C(c1ccccn1)c1cccnc1C(=O)O.O=C1OC(=O)c2ncccc21.[Br-].[Mg+2].[c-]1ccccn1.
What is the InChIKey of magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide?
The InChIKey is WRRWJMKAJGHCMO-UHFFFAOYSA-M. The full InChI is InChI=1S/4C12H8N2O3.C7H3NO3.C5H4N.BrH.Mg/c2*15-11(9-5-1-2-6-13-9)10-8(12(16)17)4-3-7-14-10;2*15-11(9-5-1-2-6-13-9)8-4-3-7-14-10(8)12(16)17;9-6-4-2-1-3-8-5(4)7(10)11-6;1-2-4-6-5-3-1;;/h4*1-7H,(H,16,17);1-3H;1-4H;1H;/q;;;;;-1;;+2/p-1.
What are the key properties of magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide?
magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide has a molecular weight of 1244.24 g/mol, XLogP of 3.52, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;furo[3,4-b]pyridine-5,7-dione;bis(2-(pyridine-2-carbonyl)pyridine-3-carboxylic acid);bis(3-(pyridine-2-carbonyl)pyridine-2-carboxylic acid);2H-pyridin-2-ide;bromide is sourced from PubChem (CID 159365309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).