3-bromo-2-fluoroquinoline

C9H5BrFN — CID 639439

IUPAC3-bromo-2-fluoroquinoline
SMILESFc1nc2ccccc2cc1Br
InChIInChI=1S/C9H5BrFN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKeyTZQPMQWGLQPGLG-UHFFFAOYSA-N
MW226.05 g/mol
LogP3.14
Rot. Bonds

About 3-bromo-2-fluoroquinoline

3-bromo-2-fluoroquinoline (PubChem CID 639439) has the molecular formula C9H5BrFN and a molecular weight of 226.05 g/mol. Its IUPAC name is 3-bromo-2-fluoroquinoline.

Molecular Properties

Compound Name3-bromo-2-fluoroquinoline
PubChem CID639439
Molecular FormulaC9H5BrFN
Molecular Weight226.05 g/mol
Exact Mass224.96
IUPAC Name3-bromo-2-fluoroquinoline
SMILESFc1nc2ccccc2cc1Br
InChIInChI=1S/C9H5BrFN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H
InChIKeyTZQPMQWGLQPGLG-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-bromo-2-fluoroquinoline?
The IUPAC name of 3-bromo-2-fluoroquinoline (CID 639439) is 3-bromo-2-fluoroquinoline.
What is the SMILES notation for 3-bromo-2-fluoroquinoline?
The canonical SMILES for 3-bromo-2-fluoroquinoline is Fc1nc2ccccc2cc1Br.
What is the InChIKey of 3-bromo-2-fluoroquinoline?
The InChIKey is TZQPMQWGLQPGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5H.
What are the key properties of 3-bromo-2-fluoroquinoline?
3-bromo-2-fluoroquinoline has a molecular weight of 226.05 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoroquinoline is sourced from PubChem (CID 639439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).