2-bromo-8-fluoro-5-methoxyquinoline

C10H7BrFNO — CID 102941272

IUPAC2-bromo-8-fluoro-5-methoxyquinoline
SMILESCOc1ccc(F)c2nc(Br)ccc12
InChIInChI=1S/C10H7BrFNO/c1-14-8-4-3-7(12)10-6(8)2-5-9(11)13-10/h2-5H,1H3
InChIKeyFYISFZSNJQNFEM-UHFFFAOYSA-N
MW256.07 g/mol
LogP3.14
Rot. Bonds1

About 2-bromo-8-fluoro-5-methoxyquinoline

2-bromo-8-fluoro-5-methoxyquinoline (PubChem CID 102941272) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 2-bromo-8-fluoro-5-methoxyquinoline.

Molecular Properties

Compound Name2-bromo-8-fluoro-5-methoxyquinoline
PubChem CID102941272
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name2-bromo-8-fluoro-5-methoxyquinoline
SMILESCOc1ccc(F)c2nc(Br)ccc12
InChIInChI=1S/C10H7BrFNO/c1-14-8-4-3-7(12)10-6(8)2-5-9(11)13-10/h2-5H,1H3
InChIKeyFYISFZSNJQNFEM-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 53.14
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-8-fluoro-5-methoxyquinoline?
The IUPAC name of 2-bromo-8-fluoro-5-methoxyquinoline (CID 102941272) is 2-bromo-8-fluoro-5-methoxyquinoline.
What is the SMILES notation for 2-bromo-8-fluoro-5-methoxyquinoline?
The canonical SMILES for 2-bromo-8-fluoro-5-methoxyquinoline is COc1ccc(F)c2nc(Br)ccc12.
What is the InChIKey of 2-bromo-8-fluoro-5-methoxyquinoline?
The InChIKey is FYISFZSNJQNFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c1-14-8-4-3-7(12)10-6(8)2-5-9(11)13-10/h2-5H,1H3.
What are the key properties of 2-bromo-8-fluoro-5-methoxyquinoline?
2-bromo-8-fluoro-5-methoxyquinoline has a molecular weight of 256.07 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-fluoro-5-methoxyquinoline is sourced from PubChem (CID 102941272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).