cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol

C28H30CoI4N4O4 — CID 139141631

IUPACcobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol
SMILESCO.CO.[Co+2].[O-]c1c(I)cc(I)cc1CNCc1ccccn1.[O-]c1c(I)cc(I)cc1CNCc1ccccn1
InChIInChI=1S/2C13H12I2N2O.2CH4O.Co/c2*14-10-5-9(13(18)12(15)6-10)7-16-8-11-3-1-2-4-17-11;2*1-2;/h2*1-6,16,18H,7-8H2;2*2H,1H3;/q;;;;+2/p-2
InChIKeyNZVBZOMGMXQJON-UHFFFAOYSA-L
MW1053.12 g/mol
LogP4.52
Rot. Bonds8

About cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol

cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol (PubChem CID 139141631) has the molecular formula C28H30CoI4N4O4 and a molecular weight of 1053.12 g/mol. Its IUPAC name is cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol.

Molecular Properties

Compound Namecobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol
PubChem CID139141631
Molecular FormulaC28H30CoI4N4O4
Molecular Weight1053.12 g/mol
Exact Mass1052.78
IUPAC Namecobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol
SMILESCO.CO.[Co+2].[O-]c1c(I)cc(I)cc1CNCc1ccccn1.[O-]c1c(I)cc(I)cc1CNCc1ccccn1
InChIInChI=1S/2C13H12I2N2O.2CH4O.Co/c2*14-10-5-9(13(18)12(15)6-10)7-16-8-11-3-1-2-4-17-11;2*1-2;/h2*1-6,16,18H,7-8H2;2*2H,1H3;/q;;;;+2/p-2
InChIKeyNZVBZOMGMXQJON-UHFFFAOYSA-L
XLogP4.52
TPSA136.42 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001053.12
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol 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

dizinc;bis(2-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]phenolate);dicyanate
CID 139041447
oxo (N,N'-bis(2-hydroxybenzyl)-N-(methyl)-N'-(pyridylmethyl)-1,3-propanodiamine)-vanadium (IV) hemihydrate
CID 139057303
Di-mu-perchlorato-bis{mu-2-[(2-pyridyl)methylaminomethyl]phenolato)dicopper(II) acetonitrile disolvate
CID 139077077
Bis[mu-2-(2-pyridylmethylaminomethyl)phenolato]-kappa^4^N,N',O:O; kappa^4^O:N,N',O-bis[(thiocyanato-kappaN)copper(II)]
CID 139077263
[2-({Benzyl[2-(benzyl{5-methyl-2-oxido-3-[(pyridin-2-ylmethyl)iminomethyl]benzyl}amino)ethyl]azaniumyl}methyl)-4-methyl-6-[(pyridin-2-ylmethyl)iminomethyl]phenolato]nickel(II) perchlorate methanol disolvate
CID 139083818
ZINC;tris(dichloromethane);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);hydrate
CID 139126773
Chloroform;bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);nickel(2+)
CID 139126774
Dicopper;bis(2-[[methyl-[3-(pyridin-2-ylmethylamino)propyl]amino]methyl]phenolate);ditetrafluoroborate
CID 139134421
Dicopper;bis(2-[[3-[methyl(pyridin-2-ylmethyl)amino]propylamino]methyl]phenolate);ditetrafluoroborate
CID 139134422
2-(4,5-dihydro-1H-imidazol-2-yl)phenolate;methanol;bis(2-pyridin-2-ylpyridine);ruthenium(2+);tetrafluoroborate
CID 139140064
Cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
CID 139152391
2-[[(2-Oxidophenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]phenolate;bis(oxygen(2-));tungsten
CID 139162848

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol?
The IUPAC name of cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol (CID 139141631) is cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol.
What is the SMILES notation for cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol?
The canonical SMILES for cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol is CO.CO.[Co+2].[O-]c1c(I)cc(I)cc1CNCc1ccccn1.[O-]c1c(I)cc(I)cc1CNCc1ccccn1.
What is the InChIKey of cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol?
The InChIKey is NZVBZOMGMXQJON-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H12I2N2O.2CH4O.Co/c2*14-10-5-9(13(18)12(15)6-10)7-16-8-11-3-1-2-4-17-11;2*1-2;/h2*1-6,16,18H,7-8H2;2*2H,1H3;/q;;;;+2/p-2.
What are the key properties of cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol?
cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol has a molecular weight of 1053.12 g/mol, XLogP of 4.52, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis(2,4-diiodo-6-[(pyridin-2-ylmethylamino)methyl]phenolate);methanol is sourced from PubChem (CID 139141631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).