9-bromo-1,7-phenanthroline

C12H7BrN2 — CID 59412924

IUPAC9-bromo-1,7-phenanthroline
SMILESBrc1cnc2ccc3cccnc3c2c1
InChIInChI=1S/C12H7BrN2/c13-9-6-10-11(15-7-9)4-3-8-2-1-5-14-12(8)10/h1-7H
InChIKeyRCWHNMNMCZXMOR-UHFFFAOYSA-N
MW259.11 g/mol
LogP3.55
Rot. Bonds

About 9-bromo-1,7-phenanthroline

9-bromo-1,7-phenanthroline (PubChem CID 59412924) has the molecular formula C12H7BrN2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 9-bromo-1,7-phenanthroline.

Molecular Properties

Compound Name9-bromo-1,7-phenanthroline
PubChem CID59412924
Molecular FormulaC12H7BrN2
Molecular Weight259.11 g/mol
Exact Mass257.98
IUPAC Name9-bromo-1,7-phenanthroline
SMILESBrc1cnc2ccc3cccnc3c2c1
InChIInChI=1S/C12H7BrN2/c13-9-6-10-11(15-7-9)4-3-8-2-1-5-14-12(8)10/h1-7H
InChIKeyRCWHNMNMCZXMOR-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 53.55
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

3-bromo-1,10-phenanthroline;ruthenium
CID 59061228
1,7-phenanthrolin-9-ylboronic acid
CID 175292482
1,7-phenanthroline;vanadium
CID 174318955
1,7-phenanthroline;dihydrochloride
CID 174688507
9-(4-naphthalen-2-ylphenyl)-1,7-phenanthroline
CID 59412911
methanol;1,7-phenanthroline
CID 174496893
9-phenyl-1,7-phenanthroline;rubidium(1+)
CID 59412913
11-bromoquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium
CID 162460175
europium(3+);1,7-phenanthroline;trinitrate
CID 174550774
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049

Frequently Asked Questions

What is the IUPAC name of 9-bromo-1,7-phenanthroline?
The IUPAC name of 9-bromo-1,7-phenanthroline (CID 59412924) is 9-bromo-1,7-phenanthroline.
What is the SMILES notation for 9-bromo-1,7-phenanthroline?
The canonical SMILES for 9-bromo-1,7-phenanthroline is Brc1cnc2ccc3cccnc3c2c1.
What is the InChIKey of 9-bromo-1,7-phenanthroline?
The InChIKey is RCWHNMNMCZXMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2/c13-9-6-10-11(15-7-9)4-3-8-2-1-5-14-12(8)10/h1-7H.
What are the key properties of 9-bromo-1,7-phenanthroline?
9-bromo-1,7-phenanthroline has a molecular weight of 259.11 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-1,7-phenanthroline is sourced from PubChem (CID 59412924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).