5-bromo-8-(bromomethyl)quinoline

C10H7Br2N — CID 13152197

IUPAC5-bromo-8-(bromomethyl)quinoline
SMILESBrCc1ccc(Br)c2cccnc12
InChIInChI=1S/C10H7Br2N/c11-6-7-3-4-9(12)8-2-1-5-13-10(7)8/h1-5H,6H2
InChIKeyDGMZYNTVOVTLLH-UHFFFAOYSA-N
MW300.98 g/mol
LogP3.89
Rot. Bonds1

About 5-bromo-8-(bromomethyl)quinoline

5-bromo-8-(bromomethyl)quinoline (PubChem CID 13152197) has the molecular formula C10H7Br2N and a molecular weight of 300.98 g/mol. Its IUPAC name is 5-bromo-8-(bromomethyl)quinoline.

Molecular Properties

Compound Name5-bromo-8-(bromomethyl)quinoline
PubChem CID13152197
Molecular FormulaC10H7Br2N
Molecular Weight300.98 g/mol
Exact Mass298.89
IUPAC Name5-bromo-8-(bromomethyl)quinoline
SMILESBrCc1ccc(Br)c2cccnc12
InChIInChI=1S/C10H7Br2N/c11-6-7-3-4-9(12)8-2-1-5-13-10(7)8/h1-5H,6H2
InChIKeyDGMZYNTVOVTLLH-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.98
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-(bromomethyl)quinoline?
The IUPAC name of 5-bromo-8-(bromomethyl)quinoline (CID 13152197) is 5-bromo-8-(bromomethyl)quinoline.
What is the SMILES notation for 5-bromo-8-(bromomethyl)quinoline?
The canonical SMILES for 5-bromo-8-(bromomethyl)quinoline is BrCc1ccc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-8-(bromomethyl)quinoline?
The InChIKey is DGMZYNTVOVTLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N/c11-6-7-3-4-9(12)8-2-1-5-13-10(7)8/h1-5H,6H2.
What are the key properties of 5-bromo-8-(bromomethyl)quinoline?
5-bromo-8-(bromomethyl)quinoline has a molecular weight of 300.98 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(bromomethyl)quinoline is sourced from PubChem (CID 13152197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).