potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide

C25H23KN6O8 — CID 159523055

IUPACpotassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide
SMILESC.COC(=O)c1ccc(-c2cnc(C(C)=O)cn2)nc1.O=C(O)c1ccc(-c2cnc(C(=O)O)cn2)nc1.[K+].[OH-]
InChIInChI=1S/C13H11N3O3.C11H7N3O4.CH4.K.H2O/c1-8(17)11-6-16-12(7-15-11)10-4-3-9(5-14-10)13(18)19-2;15-10(16)6-1-2-7(12-3-6)8-4-14-9(5-13-8)11(17)18;;;/h3-7H,1-2H3;1-5H,(H,15,16)(H,17,18);1H4;;1H2/q;;;+1;/p-1
InChIKeyMCAWWSNVQDUILZ-UHFFFAOYSA-M
MW574.59 g/mol
LogP-0.07
Rot. Bonds6

About potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide

potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide (PubChem CID 159523055) has the molecular formula C25H23KN6O8 and a molecular weight of 574.59 g/mol. Its IUPAC name is potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide.

Molecular Properties

Compound Namepotassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide
PubChem CID159523055
Molecular FormulaC25H23KN6O8
Molecular Weight574.59 g/mol
Exact Mass574.12
IUPAC Namepotassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide
SMILESC.COC(=O)c1ccc(-c2cnc(C(C)=O)cn2)nc1.O=C(O)c1ccc(-c2cnc(C(=O)O)cn2)nc1.[K+].[OH-]
InChIInChI=1S/C13H11N3O3.C11H7N3O4.CH4.K.H2O/c1-8(17)11-6-16-12(7-15-11)10-4-3-9(5-14-10)13(18)19-2;15-10(16)6-1-2-7(12-3-6)8-4-14-9(5-13-8)11(17)18;;;/h3-7H,1-2H3;1-5H,(H,15,16)(H,17,18);1H4;;1H2/q;;;+1;/p-1
InChIKeyMCAWWSNVQDUILZ-UHFFFAOYSA-M
XLogP-0.07
TPSA225.31 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.59
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

6-(5-Carboxy-2-pyridinyl)pyridine-2-carboxylic acid
CID 60018799
Trimethyl 6,6',6''(nitrilotris(methylene))trinicotinate
CID 11216273
Terpyridine-5-carboxylic acid
CID 68543188
Bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium
CID 129664332
Diethyl 2,2'-bipyridine-4,4'-dicarboxylate
CID 139049162
Methyl 2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylate;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 87802068
Bis(2,2'-bipyridyl-4,4'-dicarboxylate) ruthenium(II)
CID 129773572
Ruthenium(II) bipyridinate
CID 129814893
Palladium(II) 2,2'-bipyridinate
CID 129864354
Bis(6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylate);lead(2+)
CID 139060823
Methyl 6-(5-methoxycarbonyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxylate
CID 168331329
4'-(2-Carboxypyridin-4-yl)-[2,2':6',2''-terpyridin]-6,6''-dicarboxylic acid
CID 176514695

Frequently Asked Questions

What is the IUPAC name of potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide?
The IUPAC name of potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide (CID 159523055) is potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide.
What is the SMILES notation for potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide?
The canonical SMILES for potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide is C.COC(=O)c1ccc(-c2cnc(C(C)=O)cn2)nc1.O=C(O)c1ccc(-c2cnc(C(=O)O)cn2)nc1.[K+].[OH-].
What is the InChIKey of potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide?
The InChIKey is MCAWWSNVQDUILZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11N3O3.C11H7N3O4.CH4.K.H2O/c1-8(17)11-6-16-12(7-15-11)10-4-3-9(5-14-10)13(18)19-2;15-10(16)6-1-2-7(12-3-6)8-4-14-9(5-13-8)11(17)18;;;/h3-7H,1-2H3;1-5H,(H,15,16)(H,17,18);1H4;;1H2/q;;;+1;/p-1.
What are the key properties of potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide?
potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide has a molecular weight of 574.59 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;5-(5-carboxy-2-pyridinyl)pyrazine-2-carboxylic acid;methane;methyl 6-(5-acetylpyrazin-2-yl)pyridine-3-carboxylate;hydroxide is sourced from PubChem (CID 159523055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).