4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine

C13H11BrFNO — CID 59287313

IUPAC4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine
SMILESCc1cc(Oc2ccc(Br)cc2F)cc(C)n1
InChIInChI=1S/C13H11BrFNO/c1-8-5-11(6-9(2)16-8)17-13-4-3-10(14)7-12(13)15/h3-7H,1-2H3
InChIKeyVUXVWXFRPPTAMC-UHFFFAOYSA-N
MW296.14 g/mol
LogP4.39
Rot. Bonds2

About 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine

4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine (PubChem CID 59287313) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine
PubChem CID59287313
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine
SMILESCc1cc(Oc2ccc(Br)cc2F)cc(C)n1
InChIInChI=1S/C13H11BrFNO/c1-8-5-11(6-9(2)16-8)17-13-4-3-10(14)7-12(13)15/h3-7H,1-2H3
InChIKeyVUXVWXFRPPTAMC-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine?
The IUPAC name of 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine (CID 59287313) is 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine?
The canonical SMILES for 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine is Cc1cc(Oc2ccc(Br)cc2F)cc(C)n1.
What is the InChIKey of 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine?
The InChIKey is VUXVWXFRPPTAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c1-8-5-11(6-9(2)16-8)17-13-4-3-10(14)7-12(13)15/h3-7H,1-2H3.
What are the key properties of 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine?
4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine has a molecular weight of 296.14 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenoxy)-2,6-dimethylpyridine is sourced from PubChem (CID 59287313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).