4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one

C13H11BrFNO2 — CID 155247804

IUPAC4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c[nH]c(=O)cc1Br
InChIInChI=1S/C13H11BrFNO2/c1-7-3-9(15)4-8(2)13(7)18-11-6-16-12(17)5-10(11)14/h3-6H,1-2H3,(H,16,17)
InChIKeyMKEJMUXLGSRCHX-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.69
Rot. Bonds2

About 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one

4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one (PubChem CID 155247804) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one
PubChem CID155247804
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one
SMILESCc1cc(F)cc(C)c1Oc1c[nH]c(=O)cc1Br
InChIInChI=1S/C13H11BrFNO2/c1-7-3-9(15)4-8(2)13(7)18-11-6-16-12(17)5-10(11)14/h3-6H,1-2H3,(H,16,17)
InChIKeyMKEJMUXLGSRCHX-UHFFFAOYSA-N
XLogP3.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one (CID 155247804) is 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one is Cc1cc(F)cc(C)c1Oc1c[nH]c(=O)cc1Br.
What is the InChIKey of 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one?
The InChIKey is MKEJMUXLGSRCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-7-3-9(15)4-8(2)13(7)18-11-6-16-12(17)5-10(11)14/h3-6H,1-2H3,(H,16,17).
What are the key properties of 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one?
4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one has a molecular weight of 312.14 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluoro-2,6-dimethylphenoxy)-1H-pyridin-2-one is sourced from PubChem (CID 155247804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).