2-bromo-4-(4-fluorophenyl)-6-methylpyridine

C12H9BrFN — CID 83661899

IUPAC2-bromo-4-(4-fluorophenyl)-6-methylpyridine
SMILESCc1cc(-c2ccc(F)cc2)cc(Br)n1
InChIInChI=1S/C12H9BrFN/c1-8-6-10(7-12(13)15-8)9-2-4-11(14)5-3-9/h2-7H,1H3
InChIKeyQHRAQJRYQBLIID-UHFFFAOYSA-N
MW266.11 g/mol
LogP3.96
Rot. Bonds1

About 2-bromo-4-(4-fluorophenyl)-6-methylpyridine

2-bromo-4-(4-fluorophenyl)-6-methylpyridine (PubChem CID 83661899) has the molecular formula C12H9BrFN and a molecular weight of 266.11 g/mol. Its IUPAC name is 2-bromo-4-(4-fluorophenyl)-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-4-(4-fluorophenyl)-6-methylpyridine
PubChem CID83661899
Molecular FormulaC12H9BrFN
Molecular Weight266.11 g/mol
Exact Mass264.99
IUPAC Name2-bromo-4-(4-fluorophenyl)-6-methylpyridine
SMILESCc1cc(-c2ccc(F)cc2)cc(Br)n1
InChIInChI=1S/C12H9BrFN/c1-8-6-10(7-12(13)15-8)9-2-4-11(14)5-3-9/h2-7H,1H3
InChIKeyQHRAQJRYQBLIID-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 53.96
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

CID 5311432
CID 5311432
CID 3110002
CID 3110002
CID 12954800
CID 12954800
CID 1236665
CID 1236665
CID 618669
CID 618669
CID 2762756
CID 2762756
CID 5321849
CID 5321849
CID 56604871
CID 56604871
CID 56851824
CID 56851824
CID 268970
CID 268970
CID 568679
CID 568679
CID 613324
CID 613324

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-fluorophenyl)-6-methylpyridine?
The IUPAC name of 2-bromo-4-(4-fluorophenyl)-6-methylpyridine (CID 83661899) is 2-bromo-4-(4-fluorophenyl)-6-methylpyridine.
What is the SMILES notation for 2-bromo-4-(4-fluorophenyl)-6-methylpyridine?
The canonical SMILES for 2-bromo-4-(4-fluorophenyl)-6-methylpyridine is Cc1cc(-c2ccc(F)cc2)cc(Br)n1.
What is the InChIKey of 2-bromo-4-(4-fluorophenyl)-6-methylpyridine?
The InChIKey is QHRAQJRYQBLIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN/c1-8-6-10(7-12(13)15-8)9-2-4-11(14)5-3-9/h2-7H,1H3.
What are the key properties of 2-bromo-4-(4-fluorophenyl)-6-methylpyridine?
2-bromo-4-(4-fluorophenyl)-6-methylpyridine has a molecular weight of 266.11 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-fluorophenyl)-6-methylpyridine is sourced from PubChem (CID 83661899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).