cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine)

C35H30CdN4O7 — CID 139078259

IUPACcadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine)
SMILESCO.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C7H6O3.CH4O.Cd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-4-2-1-3-5(6)7(9)10;1-2;/h2*1-8H;2*1-4,8H,(H,9,10);2H,1H3;/q;;;;;+2/p-2
InChIKeyPDCSYLOZFSTKHE-UHFFFAOYSA-L
MW731.06 g/mol
LogP3.40
Rot. Bonds4

About cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine)

cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine) (PubChem CID 139078259) has the molecular formula C35H30CdN4O7 and a molecular weight of 731.06 g/mol. Its IUPAC name is cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namecadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine)
PubChem CID139078259
Molecular FormulaC35H30CdN4O7
Molecular Weight731.06 g/mol
Exact Mass732.11
IUPAC Namecadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine)
SMILESCO.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C7H6O3.CH4O.Cd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-4-2-1-3-5(6)7(9)10;1-2;/h2*1-8H;2*1-4,8H,(H,9,10);2H,1H3;/q;;;;;+2/p-2
InChIKeyPDCSYLOZFSTKHE-UHFFFAOYSA-L
XLogP3.40
TPSA192.51 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.06
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 3246275
2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);manganese;3-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 3246276
Copper;2-hydroxybenzoic acid;3-(1-methylpyrrolidin-2-yl)pyridine;tris(2-oxoniobenzoate)
CID 54609758
Copper; 2-hydroxybenzoate; 2-hydroxybenzoic acid; 3-(1-methylpyrrolidin-2-yl)pyridine
CID 6419864
copper;2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 16677977
2-hydroxybenzoic acid;tris((2-hydroxybenzoyl)oxidanium);manganese;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 16678055
Bis(2-benzoylphenolate);cobalt(2+);(2-hydroxyphenyl)-phenylmethanone;2-pyridin-2-ylpyridine
CID 139040813
Bis[(mu-O,O'-salicylato)(1,10-phenanthroline)copper(II)], acetylsalicylic acid solvate, diaqua solvate
CID 139056948
(2,2'-Bipyridyl-kappa^2^N,N')bis(salicylato-kappa^2^O,O')zinc(II)
CID 139059392
Dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)
CID 139066999
(2,2'-Bipyridine-kappa^2^N,N')(3-oxidonaphthalene-2-carboxylato-kappa^2^O:O')palladium(II) hemihydrate
CID 139067336
Bis(2,2'-bipyridine)(3-carboxy-4-hydroxybenzenesulfonato)copper(II) 3-carboxy-4-hydroxybenzenesulfonate
CID 139067408

Frequently Asked Questions

What is the IUPAC name of cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine)?
The IUPAC name of cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine) (CID 139078259) is cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine) is CO.O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.[Cd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine)?
The InChIKey is PDCSYLOZFSTKHE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H8N2.2C7H6O3.CH4O.Cd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*8-6-4-2-1-3-5(6)7(9)10;1-2;/h2*1-8H;2*1-4,8H,(H,9,10);2H,1H3;/q;;;;;+2/p-2.
What are the key properties of cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine)?
cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine) has a molecular weight of 731.06 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium(2+);bis(2-hydroxybenzoate);methanol;bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139078259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).