8-bromo-5-iodoquinoline

C9H5BrIN — CID 14548352

IUPAC8-bromo-5-iodoquinoline
SMILESBrc1ccc(I)c2cccnc12
InChIInChI=1S/C9H5BrIN/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H
InChIKeyFBEGNIPAFSKMLQ-UHFFFAOYSA-N
MW333.95 g/mol
LogP3.60
Rot. Bonds

About 8-bromo-5-iodoquinoline

8-bromo-5-iodoquinoline (PubChem CID 14548352) has the molecular formula C9H5BrIN and a molecular weight of 333.95 g/mol. Its IUPAC name is 8-bromo-5-iodoquinoline.

Molecular Properties

Compound Name8-bromo-5-iodoquinoline
PubChem CID14548352
Molecular FormulaC9H5BrIN
Molecular Weight333.95 g/mol
Exact Mass332.87
IUPAC Name8-bromo-5-iodoquinoline
SMILESBrc1ccc(I)c2cccnc12
InChIInChI=1S/C9H5BrIN/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H
InChIKeyFBEGNIPAFSKMLQ-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.95
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-5-iodoquinoline?
The IUPAC name of 8-bromo-5-iodoquinoline (CID 14548352) is 8-bromo-5-iodoquinoline.
What is the SMILES notation for 8-bromo-5-iodoquinoline?
The canonical SMILES for 8-bromo-5-iodoquinoline is Brc1ccc(I)c2cccnc12.
What is the InChIKey of 8-bromo-5-iodoquinoline?
The InChIKey is FBEGNIPAFSKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrIN/c10-7-3-4-8(11)6-2-1-5-12-9(6)7/h1-5H.
What are the key properties of 8-bromo-5-iodoquinoline?
8-bromo-5-iodoquinoline has a molecular weight of 333.95 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-iodoquinoline is sourced from PubChem (CID 14548352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).