azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride

C13H13Cl2N3O2Ru — CID 54576515

IUPACazanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride
SMILESN#[O+].[Cl-].[Cl-].[O-]c1ccccc1CNCc1ccccn1.[Ru+2]
InChIInChI=1S/C13H14N2O.2ClH.NO.Ru/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;;;1-2;/h1-8,14,16H,9-10H2;2*1H;;/q;;;+1;+2/p-3
InChIKeyUWWCVDCHQLADJK-UHFFFAOYSA-K
MW415.24 g/mol
LogP-4.65
Rot. Bonds4

About azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride

azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride (PubChem CID 54576515) has the molecular formula C13H13Cl2N3O2Ru and a molecular weight of 415.24 g/mol. Its IUPAC name is azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride.

Molecular Properties

Compound Nameazanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride
PubChem CID54576515
Molecular FormulaC13H13Cl2N3O2Ru
Molecular Weight415.24 g/mol
Exact Mass414.94
IUPAC Nameazanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride
SMILESN#[O+].[Cl-].[Cl-].[O-]c1ccccc1CNCc1ccccn1.[Ru+2]
InChIInChI=1S/C13H14N2O.2ClH.NO.Ru/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;;;1-2;/h1-8,14,16H,9-10H2;2*1H;;/q;;;+1;+2/p-3
InChIKeyUWWCVDCHQLADJK-UHFFFAOYSA-K
XLogP-4.65
TPSA91.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.24
LogP ≤ 5-4.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cobalt(3+);bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);perchlorate
CID 139152391
dicopper;bis(2-[(pyridin-2-ylmethylamino)methyl]phenolate);diisothiocyanate
CID 139077263
1-(2-methylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 2759812
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
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
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305

Frequently Asked Questions

What is the IUPAC name of azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride?
The IUPAC name of azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride (CID 54576515) is azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride.
What is the SMILES notation for azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride?
The canonical SMILES for azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride is N#[O+].[Cl-].[Cl-].[O-]c1ccccc1CNCc1ccccn1.[Ru+2].
What is the InChIKey of azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride?
The InChIKey is UWWCVDCHQLADJK-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H14N2O.2ClH.NO.Ru/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12;;;1-2;/h1-8,14,16H,9-10H2;2*1H;;/q;;;+1;+2/p-3.
What are the key properties of azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride?
azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride has a molecular weight of 415.24 g/mol, XLogP of -4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneoxidanium;2-[(pyridin-2-ylmethylamino)methyl]phenolate;ruthenium(2+);dichloride is sourced from PubChem (CID 54576515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).