cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite

C22H21CoN4O4 — CID 139088712

IUPACcobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite
SMILESCc1ccncc1.O=N[O-].[Co+3].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/C16H16N2O2.C6H7N.Co.HNO2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;1-6-2-4-7-5-3-6;;2-1-3/h1-8,11-12,19-20H,9-10H2;2-5H,1H3;;(H,2,3)/q;;+3;/p-3/b17-11+,18-12+;;;
InChIKeyXMRJNFCHOGSRFK-MCRPVJKSSA-K
MW464.37 g/mol
LogP3.01
Rot. Bonds5

About cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite

cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite (PubChem CID 139088712) has the molecular formula C22H21CoN4O4 and a molecular weight of 464.37 g/mol. Its IUPAC name is cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite.

Molecular Properties

Compound Namecobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite
PubChem CID139088712
Molecular FormulaC22H21CoN4O4
Molecular Weight464.37 g/mol
Exact Mass464.09
IUPAC Namecobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite
SMILESCc1ccncc1.O=N[O-].[Co+3].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-]
InChIInChI=1S/C16H16N2O2.C6H7N.Co.HNO2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;1-6-2-4-7-5-3-6;;2-1-3/h1-8,11-12,19-20H,9-10H2;2-5H,1H3;;(H,2,3)/q;;+3;/p-3/b17-11+,18-12+;;;
InChIKeyXMRJNFCHOGSRFK-MCRPVJKSSA-K
XLogP3.01
TPSA136.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nickel, (benzenecarbothioic acid ((2-hydroxyphenyl)methylene)hydrazidato(2-))(pyridine)-, (SP-4-2)-
CID 9589028
Cobalt, ((alpha,alpha'-(ethylenedinitrilo)di-o-cresolato)(2-))(pyridine)-, stereoisomer
CID 498126
(E)-N-(2-methylphenoxy)-1-phenyl-1-pyridin-2-ylmethanimine
CID 134845574
Co(salen)(py)
CID 137224656
dizinc;2-[[(1S)-1-pyridin-2-ylethyl]iminomethyl]phenolate;2-[[(1R)-1-pyridin-2-ylethyl]iminomethyl]phenolate;dicyanate
CID 139041445
2-[2-[2-[(2-Hydroxyphenyl)methylideneamino]ethyl-[2-[(2-oxidophenyl)methylideneamino]ethyl]amino]ethyliminomethyl]phenolate;bis(oxygen(2-));pyridine;uranium
CID 139052349
zinc;bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)
CID 139054294
manganese(2+);bis((Z)-2-nitro-1-phenylethenolate);bis(pyridine)
CID 139054699
Aqua(2,3-dimethylpyridine)(N-salicylideneglycinato)copper(II)
CID 139055888
Aqua(2,4-dimethylpyridine((N-salicylideneglycinato)copper(II)
CID 139056066
Aqua(2-ethylpyridine-N)(N-salicylideneglycinato-O,N,O`)copper(II)
CID 139056181
Cobalt(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;bis(pyridine);tetraphenylboranuide
CID 139057499

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite?
The IUPAC name of cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite (CID 139088712) is cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite.
What is the SMILES notation for cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite?
The canonical SMILES for cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite is Cc1ccncc1.O=N[O-].[Co+3].[O-]c1ccccc1/C=N/CC/N=C/c1ccccc1[O-].
What is the InChIKey of cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite?
The InChIKey is XMRJNFCHOGSRFK-MCRPVJKSSA-K. The full InChI is InChI=1S/C16H16N2O2.C6H7N.Co.HNO2/c19-15-7-3-1-5-13(15)11-17-9-10-18-12-14-6-2-4-8-16(14)20;1-6-2-4-7-5-3-6;;2-1-3/h1-8,11-12,19-20H,9-10H2;2-5H,1H3;;(H,2,3)/q;;+3;/p-3/b17-11+,18-12+;;;.
What are the key properties of cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite?
cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite has a molecular weight of 464.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);4-methylpyridine;2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;nitrite is sourced from PubChem (CID 139088712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).