1-bromo-2H-1,10-phenanthroline

C12H9BrN2 — CID 163209709

IUPAC1-bromo-2H-1,10-phenanthroline
SMILESBrN1CC=Cc2ccc3cccnc3c21
InChIInChI=1S/C12H9BrN2/c13-15-8-2-4-10-6-5-9-3-1-7-14-11(9)12(10)15/h1-7H,8H2
InChIKeyJORKIIDXGYVZRQ-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.38
Rot. Bonds

About 1-bromo-2H-1,10-phenanthroline

1-bromo-2H-1,10-phenanthroline (PubChem CID 163209709) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 1-bromo-2H-1,10-phenanthroline.

Molecular Properties

Compound Name1-bromo-2H-1,10-phenanthroline
PubChem CID163209709
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name1-bromo-2H-1,10-phenanthroline
SMILESBrN1CC=Cc2ccc3cccnc3c21
InChIInChI=1S/C12H9BrN2/c13-15-8-2-4-10-6-5-9-3-1-7-14-11(9)12(10)15/h1-7H,8H2
InChIKeyJORKIIDXGYVZRQ-UHFFFAOYSA-N
XLogP3.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-methyl-3,16-diazatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),3,5,8,11,13-heptaene
CID 123476841
10-(2H-1,7-phenanthrolin-1-yl)-1,7-phenanthroline
CID 175389564
CID 58385596
CID 58385596
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
diiodo(dimethyl)stannane;1,10-phenanthroline
CID 4611650
1-(3-bromophenyl)-2-phenyl-2H-1,10-phenanthroline
CID 172757238

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2H-1,10-phenanthroline?
The IUPAC name of 1-bromo-2H-1,10-phenanthroline (CID 163209709) is 1-bromo-2H-1,10-phenanthroline.
What is the SMILES notation for 1-bromo-2H-1,10-phenanthroline?
The canonical SMILES for 1-bromo-2H-1,10-phenanthroline is BrN1CC=Cc2ccc3cccnc3c21.
What is the InChIKey of 1-bromo-2H-1,10-phenanthroline?
The InChIKey is JORKIIDXGYVZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2/c13-15-8-2-4-10-6-5-9-3-1-7-14-11(9)12(10)15/h1-7H,8H2.
What are the key properties of 1-bromo-2H-1,10-phenanthroline?
1-bromo-2H-1,10-phenanthroline has a molecular weight of 261.12 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2H-1,10-phenanthroline is sourced from PubChem (CID 163209709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).