tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)

C31H34Cl10Co4N4O12 — CID 139049867

IUPACtetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)
SMILESClCCl.ClCCl.ClCCl.O=C([O-])CCl.O=C([O-])CCl.O=C([O-])CCl.O=C([O-])CCl.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.4C2H3ClO2.3CH2Cl2.4Co.4O/c4*1-2-4-6-5-3-1;4*3-1-2(4)5;3*2-1-3;;;;;;;;/h4*1-5H;4*1H2,(H,4,5);3*1H2;;;;;;;;/q;;;;;;;;;;;4*+3;4*-2/p-4
InChIKeyFQTRDAYTOJUJRT-UHFFFAOYSA-J
MW1244.89 g/mol
LogP4.01
Rot. Bonds4

About tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)

tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine) (PubChem CID 139049867) has the molecular formula C31H34Cl10Co4N4O12 and a molecular weight of 1244.89 g/mol. Its IUPAC name is tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine).

Molecular Properties

Compound Nametetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)
PubChem CID139049867
Molecular FormulaC31H34Cl10Co4N4O12
Molecular Weight1244.89 g/mol
Exact Mass1239.64
IUPAC Nametetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)
SMILESClCCl.ClCCl.ClCCl.O=C([O-])CCl.O=C([O-])CCl.O=C([O-])CCl.O=C([O-])CCl.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.4C2H3ClO2.3CH2Cl2.4Co.4O/c4*1-2-4-6-5-3-1;4*3-1-2(4)5;3*2-1-3;;;;;;;;/h4*1-5H;4*1H2,(H,4,5);3*1H2;;;;;;;;/q;;;;;;;;;;;4*+3;4*-2/p-4
InChIKeyFQTRDAYTOJUJRT-UHFFFAOYSA-J
XLogP4.01
TPSA326.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001244.89
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate
CID 139125431
magnesium;2-chloroacetate;chloride
CID 18003403
beryllium bis(2-chloroacetate)
CID 146405283
hexakis(cobalt(2+));hexadecakis(pyridine);octaacetate;tetrahexafluorophosphate
CID 139059315
tris(2-chloroacetate);iron(3+)
CID 54761770
butanedioic acid;bis(pyridine)
CID 155388203
propanedioic acid;bis(pyridine)
CID 173188950
potassium;sodium;bis(2-chloroacetate)
CID 157286926
bis(pyridine);urea;hydrofluoride
CID 174564586
acetic acid;ethane;pyridine
CID 91392032
acetic acid;bis(pyridine);hydrate
CID 67804829
pyridine
CID 67755510

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)?
The IUPAC name of tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine) (CID 139049867) is tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine).
What is the SMILES notation for tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)?
The canonical SMILES for tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine) is ClCCl.ClCCl.ClCCl.O=C([O-])CCl.O=C([O-])CCl.O=C([O-])CCl.O=C([O-])CCl.[Co+3].[Co+3].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)?
The InChIKey is FQTRDAYTOJUJRT-UHFFFAOYSA-J. The full InChI is InChI=1S/4C5H5N.4C2H3ClO2.3CH2Cl2.4Co.4O/c4*1-2-4-6-5-3-1;4*3-1-2(4)5;3*2-1-3;;;;;;;;/h4*1-5H;4*1H2,(H,4,5);3*1H2;;;;;;;;/q;;;;;;;;;;;4*+3;4*-2/p-4.
What are the key properties of tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)?
tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine) has a molecular weight of 1244.89 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine) is sourced from PubChem (CID 139049867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).