3-bromo-1,10-phenanthroline;ruthenium

C12H7BrN2Ru — CID 59061228

IUPAC3-bromo-1,10-phenanthroline;ruthenium
SMILESBrc1cnc2c(ccc3cccnc32)c1.[Ru]
InChIInChI=1S/C12H7BrN2.Ru/c13-10-6-9-4-3-8-2-1-5-14-11(8)12(9)15-7-10;/h1-7H;
InChIKeyNCRKQNSSQJHOMP-UHFFFAOYSA-N
MW360.18 g/mol
LogP3.54
Rot. Bonds

About 3-bromo-1,10-phenanthroline;ruthenium

3-bromo-1,10-phenanthroline;ruthenium (PubChem CID 59061228) has the molecular formula C12H7BrN2Ru and a molecular weight of 360.18 g/mol. Its IUPAC name is 3-bromo-1,10-phenanthroline;ruthenium.

Molecular Properties

Compound Name3-bromo-1,10-phenanthroline;ruthenium
PubChem CID59061228
Molecular FormulaC12H7BrN2Ru
Molecular Weight360.18 g/mol
Exact Mass359.88
IUPAC Name3-bromo-1,10-phenanthroline;ruthenium
SMILESBrc1cnc2c(ccc3cccnc32)c1.[Ru]
InChIInChI=1S/C12H7BrN2.Ru/c13-10-6-9-4-3-8-2-1-5-14-11(8)12(9)15-7-10;/h1-7H;
InChIKeyNCRKQNSSQJHOMP-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

bis(1,10-phenanthroline);ruthenium
CID 15001085
9-bromo-1,7-phenanthroline
CID 59412924
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
3-[3-(1,10-phenanthrolin-3-yl)anthracen-2-yl]-1,10-phenanthroline
CID 170897527
3-ethenyl-1,10-phenanthroline
CID 58813469
3-phenylsulfanyl-1,10-phenanthroline
CID 167351209

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,10-phenanthroline;ruthenium?
The IUPAC name of 3-bromo-1,10-phenanthroline;ruthenium (CID 59061228) is 3-bromo-1,10-phenanthroline;ruthenium.
What is the SMILES notation for 3-bromo-1,10-phenanthroline;ruthenium?
The canonical SMILES for 3-bromo-1,10-phenanthroline;ruthenium is Brc1cnc2c(ccc3cccnc32)c1.[Ru].
What is the InChIKey of 3-bromo-1,10-phenanthroline;ruthenium?
The InChIKey is NCRKQNSSQJHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2.Ru/c13-10-6-9-4-3-8-2-1-5-14-11(8)12(9)15-7-10;/h1-7H;.
What are the key properties of 3-bromo-1,10-phenanthroline;ruthenium?
3-bromo-1,10-phenanthroline;ruthenium has a molecular weight of 360.18 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,10-phenanthroline;ruthenium is sourced from PubChem (CID 59061228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).