3,8-dibromo-1,10-phenanthroline

C12H6Br2N2 — CID 10991348

IUPAC3,8-dibromo-1,10-phenanthroline
SMILESBrc1cnc2c(ccc3cc(Br)cnc32)c1
InChIInChI=1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H
InChIKeyIDWJREBUVYSPKS-UHFFFAOYSA-N
MW338.00 g/mol
LogP4.31
Rot. Bonds

About 3,8-dibromo-1,10-phenanthroline

3,8-dibromo-1,10-phenanthroline (PubChem CID 10991348) has the molecular formula C12H6Br2N2 and a molecular weight of 338.00 g/mol. Its IUPAC name is 3,8-dibromo-1,10-phenanthroline.

Molecular Properties

Compound Name3,8-dibromo-1,10-phenanthroline
PubChem CID10991348
Molecular FormulaC12H6Br2N2
Molecular Weight338.00 g/mol
Exact Mass335.89
IUPAC Name3,8-dibromo-1,10-phenanthroline
SMILESBrc1cnc2c(ccc3cc(Br)cnc32)c1
InChIInChI=1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H
InChIKeyIDWJREBUVYSPKS-UHFFFAOYSA-N
XLogP4.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-1,10-phenanthroline?
The IUPAC name of 3,8-dibromo-1,10-phenanthroline (CID 10991348) is 3,8-dibromo-1,10-phenanthroline.
What is the SMILES notation for 3,8-dibromo-1,10-phenanthroline?
The canonical SMILES for 3,8-dibromo-1,10-phenanthroline is Brc1cnc2c(ccc3cc(Br)cnc32)c1.
What is the InChIKey of 3,8-dibromo-1,10-phenanthroline?
The InChIKey is IDWJREBUVYSPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2N2/c13-9-3-7-1-2-8-4-10(14)6-16-12(8)11(7)15-5-9/h1-6H.
What are the key properties of 3,8-dibromo-1,10-phenanthroline?
3,8-dibromo-1,10-phenanthroline has a molecular weight of 338.00 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromo-1,10-phenanthroline is sourced from PubChem (CID 10991348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).