chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium

C13H9ClNO3Ru — CID 162435834

IUPACchloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2)c(/C=[Ru]/Cl)c1
InChIInChI=1S/C13H9NO3.ClH.Ru/c1-10-9-11(14(15)16)7-8-13(10)17-12-5-3-2-4-6-12;;/h1-9H;1H;/q;;+1/p-1
InChIKeyNHPNHVMXTPRBEK-UHFFFAOYSA-M
MW363.74 g/mol
LogP3.77
Rot. Bonds4

About chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium

chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium (PubChem CID 162435834) has the molecular formula C13H9ClNO3Ru and a molecular weight of 363.74 g/mol. Its IUPAC name is chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium.

Molecular Properties

Compound Namechloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium
PubChem CID162435834
Molecular FormulaC13H9ClNO3Ru
Molecular Weight363.74 g/mol
Exact Mass363.93
IUPAC Namechloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium
SMILESO=[N+]([O-])c1ccc(Oc2ccccc2)c(/C=[Ru]/Cl)c1
InChIInChI=1S/C13H9NO3.ClH.Ru/c1-10-9-11(14(15)16)7-8-13(10)17-12-5-3-2-4-6-12;;/h1-9H;1H;/q;;+1/p-1
InChIKeyNHPNHVMXTPRBEK-UHFFFAOYSA-M
XLogP3.77
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.74
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-2-phenoxybenzoyl chloride
CID 21406549
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
2-(2-bromophenoxy)-5-nitrobenzaldehyde
CID 28888057
3-(5-nitro-2-phenoxyphenyl)propan-1-amine
CID 170867550
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
4-nitro-1-phenoxy-2-phenylmethoxybenzene
CID 139434061
3-(5-nitro-2-phenoxyphenyl)-2-oxopropanoic acid
CID 134869534
5-nitro-2-(3-phenoxypropoxy)benzaldehyde
CID 60602345
N-methyl-4-nitro-2-phenoxyaniline
CID 149465718
2-(benzenesulfonyl)-3-[2-(4-bromophenoxy)-5-nitrophenyl]prop-2-enenitrile
CID 4170744
2-(2-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113890
6-nitro-4-phenoxycinnoline
CID 22252590

Frequently Asked Questions

What is the IUPAC name of chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium?
The IUPAC name of chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium (CID 162435834) is chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium.
What is the SMILES notation for chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium?
The canonical SMILES for chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium is O=[N+]([O-])c1ccc(Oc2ccccc2)c(/C=[Ru]/Cl)c1.
What is the InChIKey of chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium?
The InChIKey is NHPNHVMXTPRBEK-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9NO3.ClH.Ru/c1-10-9-11(14(15)16)7-8-13(10)17-12-5-3-2-4-6-12;;/h1-9H;1H;/q;;+1/p-1.
What are the key properties of chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium?
chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium has a molecular weight of 363.74 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(5-nitro-2-phenoxyphenyl)methylidene]ruthenium is sourced from PubChem (CID 162435834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).