cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine)

C38H30CdN4O6 — CID 139082679

IUPACcadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine)
SMILESO=C(O)/C=C/c1cccc([O-])c1.O=C([O-])/C=C/c1cccc(O)c1.[Cd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C9H8O3.Cd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*10-8-3-1-2-7(6-8)4-5-9(11)12;/h2*1-8H;2*1-6,10H,(H,11,12);/q;;;;+2/p-2/b;;2*5-4+;
InChIKeyHHOLYZMLGDCCOX-PZPGDYCOSA-L
MW751.09 g/mol
LogP5.30
Rot. Bonds6

About cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine)

cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine) (PubChem CID 139082679) has the molecular formula C38H30CdN4O6 and a molecular weight of 751.09 g/mol. Its IUPAC name is cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namecadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine)
PubChem CID139082679
Molecular FormulaC38H30CdN4O6
Molecular Weight751.09 g/mol
Exact Mass752.12
IUPAC Namecadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine)
SMILESO=C(O)/C=C/c1cccc([O-])c1.O=C([O-])/C=C/c1cccc(O)c1.[Cd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C9H8O3.Cd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*10-8-3-1-2-7(6-8)4-5-9(11)12;/h2*1-8H;2*1-6,10H,(H,11,12);/q;;;;+2/p-2/b;;2*5-4+;
InChIKeyHHOLYZMLGDCCOX-PZPGDYCOSA-L
XLogP5.30
TPSA172.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.09
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine) with MolForge

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

Launch Full Analysis

Related Compounds

Dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)
CID 139066999
Bis(2,2'-bipyridine-kappa^2^N,N')bis(4-hydroxybenzoato-kappaO)manganese(II)
CID 139069373
Bis(2,2'-bipyridyl-kappa^2^N,N')bis(2-hydroxybenzoato)-kappaO^1^;kappa^2^O^1^,O^1'^-cadmium(II) methanol solvate
CID 139078259
Tetrakis[mu-3-(3-hydroxyphenyl)propenoato]bis{aqua(2,2'-bipyridine)[3-(3-hydroxyphenyl)propenoato]neodymium(III)} 2,2'-bipyridine disolvate dihydrate
CID 139082651
Bis(4-carboxybenzoate);bis(nickel(2+));bis(2-pyridin-2-ylpyridine);terephthalate
CID 139129857
Copper;bis(3-hydroxybenzoate);methanol;4-phenyl-2,6-dipyridin-2-ylpyridine
CID 139168096
ZINC;bis(3-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine
CID 139176319
(2R)-2-amino-3-(4-hydroxyphenyl)propanoate;benzene;bis(2-pyridin-2-ylpyridine);ruthenium(3+);perchlorate
CID 168337337
aqua(2,2'-bipyridine-N,N')bis(3-hydroxy-trans-cinnamato-O,O')cadmium(II)
CID 168344156
Bis(erbium(3+));hexakis(3-(4-hydroxyphenyl)propanoate);bis(2-pyridin-2-ylpyridine);tetrahydrate
CID 168349422
Bis(cerium(3+));hexakis(3-(4-hydroxyphenyl)propanoate);bis(2-pyridin-2-ylpyridine);tetrahydrate
CID 168349423
Hexakis(3-(4-hydroxyphenyl)propanoate);bis(neodymium(3+));tetrakis(2-pyridin-2-ylpyridine);tetrahydrate
CID 168349424

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine)?
The IUPAC name of cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine) (CID 139082679) is cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine) is O=C(O)/C=C/c1cccc([O-])c1.O=C([O-])/C=C/c1cccc(O)c1.[Cd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine)?
The InChIKey is HHOLYZMLGDCCOX-PZPGDYCOSA-L. The full InChI is InChI=1S/2C10H8N2.2C9H8O3.Cd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*10-8-3-1-2-7(6-8)4-5-9(11)12;/h2*1-8H;2*1-6,10H,(H,11,12);/q;;;;+2/p-2/b;;2*5-4+;.
What are the key properties of cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine)?
cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine) has a molecular weight of 751.09 g/mol, XLogP of 5.30, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);3-[(E)-2-carboxyethenyl]phenolate;(E)-3-(3-hydroxyphenyl)prop-2-enoate;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139082679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).