bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine)

C50H48CoN2O20 — CID 139073047

IUPACbis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine)
SMILESO=C(O)CCOc1ccc(C(=O)O)cc1.O=C(O)CCOc1ccc(C(=O)O)cc1.O=C([O-])CCOc1ccc(C(=O)O)cc1.O=C([O-])CCOc1ccc(C(=O)O)cc1.[Co+2].c1ccncc1.c1ccncc1
InChIInChI=1S/4C10H10O5.2C5H5N.Co/c4*11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14;2*1-2-4-6-5-3-1;/h4*1-4H,5-6H2,(H,11,12)(H,13,14);2*1-5H;/q;;;;;;+2/p-2
InChIKeyJJDLVUBSKXIYNO-UHFFFAOYSA-L
MW1055.86 g/mol
LogP4.44
Rot. Bonds20

About bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine)

bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine) (PubChem CID 139073047) has the molecular formula C50H48CoN2O20 and a molecular weight of 1055.86 g/mol. Its IUPAC name is bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine).

Molecular Properties

Compound Namebis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine)
PubChem CID139073047
Molecular FormulaC50H48CoN2O20
Molecular Weight1055.86 g/mol
Exact Mass1055.21
IUPAC Namebis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine)
SMILESO=C(O)CCOc1ccc(C(=O)O)cc1.O=C(O)CCOc1ccc(C(=O)O)cc1.O=C([O-])CCOc1ccc(C(=O)O)cc1.O=C([O-])CCOc1ccc(C(=O)O)cc1.[Co+2].c1ccncc1.c1ccncc1
InChIInChI=1S/4C10H10O5.2C5H5N.Co/c4*11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14;2*1-2-4-6-5-3-1;/h4*1-4H,5-6H2,(H,11,12)(H,13,14);2*1-5H;/q;;;;;;+2/p-2
InChIKeyJJDLVUBSKXIYNO-UHFFFAOYSA-L
XLogP4.44
TPSA366.76 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001055.86
LogP ≤ 54.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine)?
The IUPAC name of bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine) (CID 139073047) is bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine).
What is the SMILES notation for bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine)?
The canonical SMILES for bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine) is O=C(O)CCOc1ccc(C(=O)O)cc1.O=C(O)CCOc1ccc(C(=O)O)cc1.O=C([O-])CCOc1ccc(C(=O)O)cc1.O=C([O-])CCOc1ccc(C(=O)O)cc1.[Co+2].c1ccncc1.c1ccncc1.
What is the InChIKey of bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine)?
The InChIKey is JJDLVUBSKXIYNO-UHFFFAOYSA-L. The full InChI is InChI=1S/4C10H10O5.2C5H5N.Co/c4*11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14;2*1-2-4-6-5-3-1;/h4*1-4H,5-6H2,(H,11,12)(H,13,14);2*1-5H;/q;;;;;;+2/p-2.
What are the key properties of bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine)?
bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine) has a molecular weight of 1055.86 g/mol, XLogP of 4.44, 20 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(2-carboxyethoxy)benzoic acid);bis(3-(4-carboxyphenoxy)propanoate);cobalt(2+);bis(pyridine) is sourced from PubChem (CID 139073047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).