2-bromo-3-methoxyquinoline

C10H8BrNO — CID 12958745

IUPAC2-bromo-3-methoxyquinoline
SMILESCOc1cc2ccccc2nc1Br
InChIInChI=1S/C10H8BrNO/c1-13-9-6-7-4-2-3-5-8(7)12-10(9)11/h2-6H,1H3
InChIKeyXUZUQWQMWWARTJ-UHFFFAOYSA-N
MW238.08 g/mol
LogP3.01
Rot. Bonds1

About 2-bromo-3-methoxyquinoline

2-bromo-3-methoxyquinoline (PubChem CID 12958745) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 2-bromo-3-methoxyquinoline.

Molecular Properties

Compound Name2-bromo-3-methoxyquinoline
PubChem CID12958745
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name2-bromo-3-methoxyquinoline
SMILESCOc1cc2ccccc2nc1Br
InChIInChI=1S/C10H8BrNO/c1-13-9-6-7-4-2-3-5-8(7)12-10(9)11/h2-6H,1H3
InChIKeyXUZUQWQMWWARTJ-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxyquinoline?
The IUPAC name of 2-bromo-3-methoxyquinoline (CID 12958745) is 2-bromo-3-methoxyquinoline.
What is the SMILES notation for 2-bromo-3-methoxyquinoline?
The canonical SMILES for 2-bromo-3-methoxyquinoline is COc1cc2ccccc2nc1Br.
What is the InChIKey of 2-bromo-3-methoxyquinoline?
The InChIKey is XUZUQWQMWWARTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-13-9-6-7-4-2-3-5-8(7)12-10(9)11/h2-6H,1H3.
What are the key properties of 2-bromo-3-methoxyquinoline?
2-bromo-3-methoxyquinoline has a molecular weight of 238.08 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methoxyquinoline is sourced from PubChem (CID 12958745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).