2-bromo-8-fluoro-6-methylquinoline

C10H7BrFN — CID 102941093

IUPAC2-bromo-8-fluoro-6-methylquinoline
SMILESCc1cc(F)c2nc(Br)ccc2c1
InChIInChI=1S/C10H7BrFN/c1-6-4-7-2-3-9(11)13-10(7)8(12)5-6/h2-5H,1H3
InChIKeyBXIWYKHUHOPCCY-UHFFFAOYSA-N
MW240.08 g/mol
LogP3.44
Rot. Bonds

About 2-bromo-8-fluoro-6-methylquinoline

2-bromo-8-fluoro-6-methylquinoline (PubChem CID 102941093) has the molecular formula C10H7BrFN and a molecular weight of 240.08 g/mol. Its IUPAC name is 2-bromo-8-fluoro-6-methylquinoline.

Molecular Properties

Compound Name2-bromo-8-fluoro-6-methylquinoline
PubChem CID102941093
Molecular FormulaC10H7BrFN
Molecular Weight240.08 g/mol
Exact Mass238.97
IUPAC Name2-bromo-8-fluoro-6-methylquinoline
SMILESCc1cc(F)c2nc(Br)ccc2c1
InChIInChI=1S/C10H7BrFN/c1-6-4-7-2-3-9(11)13-10(7)8(12)5-6/h2-5H,1H3
InChIKeyBXIWYKHUHOPCCY-UHFFFAOYSA-N
XLogP3.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.08
LogP ≤ 53.44
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 2-bromo-8-fluoro-6-methylquinoline?
The IUPAC name of 2-bromo-8-fluoro-6-methylquinoline (CID 102941093) is 2-bromo-8-fluoro-6-methylquinoline.
What is the SMILES notation for 2-bromo-8-fluoro-6-methylquinoline?
The canonical SMILES for 2-bromo-8-fluoro-6-methylquinoline is Cc1cc(F)c2nc(Br)ccc2c1.
What is the InChIKey of 2-bromo-8-fluoro-6-methylquinoline?
The InChIKey is BXIWYKHUHOPCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN/c1-6-4-7-2-3-9(11)13-10(7)8(12)5-6/h2-5H,1H3.
What are the key properties of 2-bromo-8-fluoro-6-methylquinoline?
2-bromo-8-fluoro-6-methylquinoline has a molecular weight of 240.08 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-fluoro-6-methylquinoline is sourced from PubChem (CID 102941093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).