tetrakis(pyrazine-2-carboxylic acid);zirconium

C20H16N8O8Zr — CID 172643699

IUPACtetrakis(pyrazine-2-carboxylic acid);zirconium
SMILESO=C(O)c1cnccn1.O=C(O)c1cnccn1.O=C(O)c1cnccn1.O=C(O)c1cnccn1.[Zr]
InChIInChI=1S/4C5H4N2O2.Zr/c4*8-5(9)4-3-6-1-2-7-4;/h4*1-3H,(H,8,9);
InChIKeyYNWGBDGTJJLMEE-UHFFFAOYSA-N
MW587.62 g/mol
LogP0.70
Rot. Bonds4

About tetrakis(pyrazine-2-carboxylic acid);zirconium

tetrakis(pyrazine-2-carboxylic acid);zirconium (PubChem CID 172643699) has the molecular formula C20H16N8O8Zr and a molecular weight of 587.62 g/mol. Its IUPAC name is tetrakis(pyrazine-2-carboxylic acid);zirconium.

Molecular Properties

Compound Nametetrakis(pyrazine-2-carboxylic acid);zirconium
PubChem CID172643699
Molecular FormulaC20H16N8O8Zr
Molecular Weight587.62 g/mol
Exact Mass586.01
IUPAC Nametetrakis(pyrazine-2-carboxylic acid);zirconium
SMILESO=C(O)c1cnccn1.O=C(O)c1cnccn1.O=C(O)c1cnccn1.O=C(O)c1cnccn1.[Zr]
InChIInChI=1S/4C5H4N2O2.Zr/c4*8-5(9)4-3-6-1-2-7-4;/h4*1-3H,(H,8,9);
InChIKeyYNWGBDGTJJLMEE-UHFFFAOYSA-N
XLogP0.70
TPSA252.32 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.62
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
imidazol-3-ide;pyrazine-2-carboxylic acid
CID 86739965
pyrazine-2-carbothioic S-acid
CID 87249006
N-deuteriopyrazine-2-carboxamide
CID 175943999
sodium;(2-methylphenyl)methanone;pyrazine-2-carboxylic acid
CID 175726344
piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid
CID 159112921
amino(diaminomethylidene)azanium;pyrazine-2-carboxylate
CID 155803285
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
amino pyrazine-2-carboxylate
CID 67878279
silyl pyrazine-2-carboxylate
CID 137330489
[dithiocarboxy(pyrazine-2-carbonyl)amino]-(pyrazine-2-carbonyl)carbamodithioic acid
CID 87511432

Frequently Asked Questions

What is the IUPAC name of tetrakis(pyrazine-2-carboxylic acid);zirconium?
The IUPAC name of tetrakis(pyrazine-2-carboxylic acid);zirconium (CID 172643699) is tetrakis(pyrazine-2-carboxylic acid);zirconium.
What is the SMILES notation for tetrakis(pyrazine-2-carboxylic acid);zirconium?
The canonical SMILES for tetrakis(pyrazine-2-carboxylic acid);zirconium is O=C(O)c1cnccn1.O=C(O)c1cnccn1.O=C(O)c1cnccn1.O=C(O)c1cnccn1.[Zr].
What is the InChIKey of tetrakis(pyrazine-2-carboxylic acid);zirconium?
The InChIKey is YNWGBDGTJJLMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H4N2O2.Zr/c4*8-5(9)4-3-6-1-2-7-4;/h4*1-3H,(H,8,9);.
What are the key properties of tetrakis(pyrazine-2-carboxylic acid);zirconium?
tetrakis(pyrazine-2-carboxylic acid);zirconium has a molecular weight of 587.62 g/mol, XLogP of 0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(pyrazine-2-carboxylic acid);zirconium is sourced from PubChem (CID 172643699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).