8-bromo-7-fluoro-3-iodoquinoline

C9H4BrFIN — CID 155778437

IUPAC8-bromo-7-fluoro-3-iodoquinoline
SMILESFc1ccc2cc(I)cnc2c1Br
InChIInChI=1S/C9H4BrFIN/c10-8-7(11)2-1-5-3-6(12)4-13-9(5)8/h1-4H
InChIKeyZCQDWESNYUVFON-UHFFFAOYSA-N
MW351.94 g/mol
LogP3.74
Rot. Bonds

About 8-bromo-7-fluoro-3-iodoquinoline

8-bromo-7-fluoro-3-iodoquinoline (PubChem CID 155778437) has the molecular formula C9H4BrFIN and a molecular weight of 351.94 g/mol. Its IUPAC name is 8-bromo-7-fluoro-3-iodoquinoline.

Molecular Properties

Compound Name8-bromo-7-fluoro-3-iodoquinoline
PubChem CID155778437
Molecular FormulaC9H4BrFIN
Molecular Weight351.94 g/mol
Exact Mass350.86
IUPAC Name8-bromo-7-fluoro-3-iodoquinoline
SMILESFc1ccc2cc(I)cnc2c1Br
InChIInChI=1S/C9H4BrFIN/c10-8-7(11)2-1-5-3-6(12)4-13-9(5)8/h1-4H
InChIKeyZCQDWESNYUVFON-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.94
LogP ≤ 53.74
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-7-fluoro-3-iodoquinoline?
The IUPAC name of 8-bromo-7-fluoro-3-iodoquinoline (CID 155778437) is 8-bromo-7-fluoro-3-iodoquinoline.
What is the SMILES notation for 8-bromo-7-fluoro-3-iodoquinoline?
The canonical SMILES for 8-bromo-7-fluoro-3-iodoquinoline is Fc1ccc2cc(I)cnc2c1Br.
What is the InChIKey of 8-bromo-7-fluoro-3-iodoquinoline?
The InChIKey is ZCQDWESNYUVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFIN/c10-8-7(11)2-1-5-3-6(12)4-13-9(5)8/h1-4H.
What are the key properties of 8-bromo-7-fluoro-3-iodoquinoline?
8-bromo-7-fluoro-3-iodoquinoline has a molecular weight of 351.94 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-3-iodoquinoline is sourced from PubChem (CID 155778437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).