cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate

C26H26ClCoN4O6 — CID 139152391

IUPACcobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
SMILES[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1CNCc1ccccn1.[O-]c1ccccc1CNCc1ccccn1
InChIInChI=1S/2C13H14N2O.ClHO4.Co/c2*16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;2-1(3,4)5;/h2*1-8,14,16H,9-10H2;(H,2,3,4,5);/q;;;+3/p-3
InChIKeyPADZPBFHXQKMMA-UHFFFAOYSA-K
MW584.90 g/mol
LogP-1.87
Rot. Bonds8

About cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate

cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate (PubChem CID 139152391) has the molecular formula C26H26ClCoN4O6 and a molecular weight of 584.90 g/mol. Its IUPAC name is cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate.

Molecular Properties

Compound Namecobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
PubChem CID139152391
Molecular FormulaC26H26ClCoN4O6
Molecular Weight584.90 g/mol
Exact Mass584.09
IUPAC Namecobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
SMILES[Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1CNCc1ccccn1.[O-]c1ccccc1CNCc1ccccn1
InChIInChI=1S/2C13H14N2O.ClHO4.Co/c2*16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;2-1(3,4)5;/h2*1-8,14,16H,9-10H2;(H,2,3,4,5);/q;;;+3/p-3
InChIKeyPADZPBFHXQKMMA-UHFFFAOYSA-K
XLogP-1.87
TPSA188.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.90
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride
CID 54576515
dicopper;bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);diisothiocyanate
CID 139077263
tetrakis(cobalt(3+));octakis(2,4-dichloro-6-[(pyridin-2-ylmethylamino)methyl]phenolate);tetraperchlorate
CID 139152393
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
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1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837
1-(2-pyrazol-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 61167894
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol
CID 61389966
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine;oxalic acid
CID 17052907

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate?
The IUPAC name of cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate (CID 139152391) is cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate.
What is the SMILES notation for cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate?
The canonical SMILES for cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate is [Co+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1CNCc1ccccn1.[O-]c1ccccc1CNCc1ccccn1.
What is the InChIKey of cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate?
The InChIKey is PADZPBFHXQKMMA-UHFFFAOYSA-K. The full InChI is InChI=1S/2C13H14N2O.ClHO4.Co/c2*16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;2-1(3,4)5;/h2*1-8,14,16H,9-10H2;(H,2,3,4,5);/q;;;+3/p-3.
What are the key properties of cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate?
cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate has a molecular weight of 584.90 g/mol, XLogP of -1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate is sourced from PubChem (CID 139152391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).