2-bromo-6-fluoroquinoline

C9H5BrFN — CID 18729607

IUPAC2-bromo-6-fluoroquinoline
SMILESFc1ccc2nc(Br)ccc2c1
InChIInChI=1S/C9H5BrFN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
InChIKeyGEDXYXFMKSPTLS-UHFFFAOYSA-N
MW226.05 g/mol
LogP3.14
Rot. Bonds

About 2-bromo-6-fluoroquinoline

2-bromo-6-fluoroquinoline (PubChem CID 18729607) has the molecular formula C9H5BrFN and a molecular weight of 226.05 g/mol. Its IUPAC name is 2-bromo-6-fluoroquinoline.

Molecular Properties

Compound Name2-bromo-6-fluoroquinoline
PubChem CID18729607
Molecular FormulaC9H5BrFN
Molecular Weight226.05 g/mol
Exact Mass224.96
IUPAC Name2-bromo-6-fluoroquinoline
SMILESFc1ccc2nc(Br)ccc2c1
InChIInChI=1S/C9H5BrFN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H
InChIKeyGEDXYXFMKSPTLS-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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Related Compounds

2-[(Z)-2-bromoethenyl]-6-fluoroquinoline
CID 86683113
6-fluoro-2-(trifluoromethyl)quinoline
CID 11074775
2-bromo-7-fluoro-6-methylquinoline
CID 102941278
2,3-dibromo-6-fluoroquinoxaline
CID 71652953
ethane;2-ethyl-6-fluoroquinoline
CID 142538501
6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
CID 126544155
2-bromo-6-fluoroquinoline-4-carboxylic acid
CID 82184190
2-bromo-6-butan-2-ylquinoline
CID 102941166
2-bromo-6-(4-methylphenoxy)quinoline
CID 102941044
5-(6-fluoroquinolin-2-yl)-2-propan-2-ylbenzene-1,3-diol
CID 168883113
2-bromo-6,7,8-trifluoroquinoline
CID 102941040
3-(6-fluoroquinolin-2-yl)propanoic acid
CID 82242044

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoroquinoline?
The IUPAC name of 2-bromo-6-fluoroquinoline (CID 18729607) is 2-bromo-6-fluoroquinoline.
What is the SMILES notation for 2-bromo-6-fluoroquinoline?
The canonical SMILES for 2-bromo-6-fluoroquinoline is Fc1ccc2nc(Br)ccc2c1.
What is the InChIKey of 2-bromo-6-fluoroquinoline?
The InChIKey is GEDXYXFMKSPTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN/c10-9-4-1-6-5-7(11)2-3-8(6)12-9/h1-5H.
What are the key properties of 2-bromo-6-fluoroquinoline?
2-bromo-6-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 2-bromo-6-fluoroquinoline is sourced from PubChem (CID 18729607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).