zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine)

C24H16N6O4Zn — CID 139177646

IUPACzinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine)
SMILESN#Cc1ccc(C(=O)[O-])nc1.N#Cc1ccc(C(=O)[O-])nc1.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H4N2O2.2C5H5N.Zn/c2*8-3-5-1-2-6(7(10)11)9-4-5;2*1-2-4-6-5-3-1;/h2*1-2,4H,(H,10,11);2*1-5H;/q;;;;+2/p-2
InChIKeyNASVXUPFYVRDQI-UHFFFAOYSA-L
MW517.82 g/mol
LogP0.79
Rot. Bonds2

About zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine)

zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine) (PubChem CID 139177646) has the molecular formula C24H16N6O4Zn and a molecular weight of 517.82 g/mol. Its IUPAC name is zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine).

Molecular Properties

Compound Namezinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine)
PubChem CID139177646
Molecular FormulaC24H16N6O4Zn
Molecular Weight517.82 g/mol
Exact Mass516.05
IUPAC Namezinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine)
SMILESN#Cc1ccc(C(=O)[O-])nc1.N#Cc1ccc(C(=O)[O-])nc1.[Zn+2].c1ccncc1.c1ccncc1
InChIInChI=1S/2C7H4N2O2.2C5H5N.Zn/c2*8-3-5-1-2-6(7(10)11)9-4-5;2*1-2-4-6-5-3-1;/h2*1-2,4H,(H,10,11);2*1-5H;/q;;;;+2/p-2
InChIKeyNASVXUPFYVRDQI-UHFFFAOYSA-L
XLogP0.79
TPSA179.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.82
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Chromium tripicolinate
CID 56840998
(SP-4-1)-Bis(2-pyridinecarboxylato-|EN1,|EO2)copper
CID 24182871
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cuprabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594095
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-cadmabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594096
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-zincabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594097
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-manganabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594098
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9$l^{4}-ferrabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594099
3,3'-Dibutyl-9,9'-spirobi[8-oxa-1$l^{5}-aza-9-plumbabicyclo[4.3.0]nona-1(6),2,4-triene]-7,7'-dione
CID 71594208
Tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
tris(pyridine-2-carboxylato-kappa(2)N,O)chromium
CID 24883444
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;bis(4-methylpyridine);ruthenium(2+)
CID 56684304
Ru(II)(bda)(pic)2
CID 56835790

Frequently Asked Questions

What is the IUPAC name of zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine)?
The IUPAC name of zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine) (CID 139177646) is zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine).
What is the SMILES notation for zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine)?
The canonical SMILES for zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine) is N#Cc1ccc(C(=O)[O-])nc1.N#Cc1ccc(C(=O)[O-])nc1.[Zn+2].c1ccncc1.c1ccncc1.
What is the InChIKey of zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine)?
The InChIKey is NASVXUPFYVRDQI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H4N2O2.2C5H5N.Zn/c2*8-3-5-1-2-6(7(10)11)9-4-5;2*1-2-4-6-5-3-1;/h2*1-2,4H,(H,10,11);2*1-5H;/q;;;;+2/p-2.
What are the key properties of zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine)?
zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine) has a molecular weight of 517.82 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(5-cyanopyridine-2-carboxylate);bis(pyridine) is sourced from PubChem (CID 139177646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).