benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride

C15H11ClN2O3Ru — CID 51353266

IUPACbenzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride
SMILESO=[N+]([O-])c1ccc(O)c2ncccc12.[Cl-].[Ru+2].[c-]1ccccc1
InChIInChI=1S/C9H6N2O3.C6H5.ClH.Ru/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;1-2-4-6-5-3-1;;/h1-5,12H;1-5H;1H;/q;-1;;+2/p-1
InChIKeyLXWRNORKEHSQNF-UHFFFAOYSA-M
MW403.79 g/mol
LogP0.34
Rot. Bonds1

About benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride

benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride (PubChem CID 51353266) has the molecular formula C15H11ClN2O3Ru and a molecular weight of 403.79 g/mol. Its IUPAC name is benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride.

Molecular Properties

Compound Namebenzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride
PubChem CID51353266
Molecular FormulaC15H11ClN2O3Ru
Molecular Weight403.79 g/mol
Exact Mass403.95
IUPAC Namebenzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride
SMILESO=[N+]([O-])c1ccc(O)c2ncccc12.[Cl-].[Ru+2].[c-]1ccccc1
InChIInChI=1S/C9H6N2O3.C6H5.ClH.Ru/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;1-2-4-6-5-3-1;;/h1-5,12H;1-5H;1H;/q;-1;;+2/p-1
InChIKeyLXWRNORKEHSQNF-UHFFFAOYSA-M
XLogP0.34
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.79
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

aniline;5-nitroquinolin-8-ol
CID 90427564
5-nitroquinoline-8-carboxylic acid
CID 15405331
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;5-nitroquinolin-8-ol
CID 86268277
1-(5-nitroquinolin-8-yl)propan-2-one
CID 63199171
8-(3-methylbutan-2-ylsulfanyl)-5-nitroquinoline
CID 133428141
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
ethane;8-(4-methylpyrimidin-2-yl)sulfanyl-5-nitroquinoline
CID 144616660
7-bromo-5-nitroquinolin-8-ol
CID 14125599
5-nitro-8-piperidin-1-ylquinoline
CID 3124100
4-hydroxy-1-(5-nitroquinoline-8-carbonyl)piperidine-4-carboxylic acid
CID 120528257
3-(5-nitroquinolin-8-yl)sulfanylpropane-1,2-diol
CID 79683275

Frequently Asked Questions

What is the IUPAC name of benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride?
The IUPAC name of benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride (CID 51353266) is benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride.
What is the SMILES notation for benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride?
The canonical SMILES for benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride is O=[N+]([O-])c1ccc(O)c2ncccc12.[Cl-].[Ru+2].[c-]1ccccc1.
What is the InChIKey of benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride?
The InChIKey is LXWRNORKEHSQNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6N2O3.C6H5.ClH.Ru/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8;1-2-4-6-5-3-1;;/h1-5,12H;1-5H;1H;/q;-1;;+2/p-1.
What are the key properties of benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride?
benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride has a molecular weight of 403.79 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-nitroquinolin-8-ol;ruthenium(2+);chloride is sourced from PubChem (CID 51353266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).