6-bromo-2-(iodomethyl)quinoline

C10H7BrIN — CID 89441334

IUPAC6-bromo-2-(iodomethyl)quinoline
SMILESBrc1ccc2nc(CI)ccc2c1
InChIInChI=1S/C10H7BrIN/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-5H,6H2
InChIKeyWFQDBEWRRYUULL-UHFFFAOYSA-N
MW347.98 g/mol
LogP3.93
Rot. Bonds1

About 6-bromo-2-(iodomethyl)quinoline

6-bromo-2-(iodomethyl)quinoline (PubChem CID 89441334) has the molecular formula C10H7BrIN and a molecular weight of 347.98 g/mol. Its IUPAC name is 6-bromo-2-(iodomethyl)quinoline.

Molecular Properties

Compound Name6-bromo-2-(iodomethyl)quinoline
PubChem CID89441334
Molecular FormulaC10H7BrIN
Molecular Weight347.98 g/mol
Exact Mass346.88
IUPAC Name6-bromo-2-(iodomethyl)quinoline
SMILESBrc1ccc2nc(CI)ccc2c1
InChIInChI=1S/C10H7BrIN/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-5H,6H2
InChIKeyWFQDBEWRRYUULL-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.98
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(iodomethyl)quinoline?
The IUPAC name of 6-bromo-2-(iodomethyl)quinoline (CID 89441334) is 6-bromo-2-(iodomethyl)quinoline.
What is the SMILES notation for 6-bromo-2-(iodomethyl)quinoline?
The canonical SMILES for 6-bromo-2-(iodomethyl)quinoline is Brc1ccc2nc(CI)ccc2c1.
What is the InChIKey of 6-bromo-2-(iodomethyl)quinoline?
The InChIKey is WFQDBEWRRYUULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrIN/c11-8-2-4-10-7(5-8)1-3-9(6-12)13-10/h1-5H,6H2.
What are the key properties of 6-bromo-2-(iodomethyl)quinoline?
6-bromo-2-(iodomethyl)quinoline has a molecular weight of 347.98 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(iodomethyl)quinoline is sourced from PubChem (CID 89441334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).