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

C14H12BrF2NO2 — CID 172696844

IUPAC4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one
SMILESCc1cccc(C)c1Oc1cn(C(F)F)c(=O)cc1Br
InChIInChI=1S/C14H12BrF2NO2/c1-8-4-3-5-9(2)13(8)20-11-7-18(14(16)17)12(19)6-10(11)15/h3-7,14H,1-2H3
InChIKeyCKWVCZARTLEVRZ-UHFFFAOYSA-N
MW344.16 g/mol
LogP4.42
Rot. Bonds3

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

4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one (PubChem CID 172696844) has the molecular formula C14H12BrF2NO2 and a molecular weight of 344.16 g/mol. Its IUPAC name is 4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one.

Molecular Properties

Compound Name4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one
PubChem CID172696844
Molecular FormulaC14H12BrF2NO2
Molecular Weight344.16 g/mol
Exact Mass343.00
IUPAC Name4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one
SMILESCc1cccc(C)c1Oc1cn(C(F)F)c(=O)cc1Br
InChIInChI=1S/C14H12BrF2NO2/c1-8-4-3-5-9(2)13(8)20-11-7-18(14(16)17)12(19)6-10(11)15/h3-7,14H,1-2H3
InChIKeyCKWVCZARTLEVRZ-UHFFFAOYSA-N
XLogP4.42
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one?
The IUPAC name of 4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one (CID 172696844) is 4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one.
What is the SMILES notation for 4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one?
The canonical SMILES for 4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one is Cc1cccc(C)c1Oc1cn(C(F)F)c(=O)cc1Br.
What is the InChIKey of 4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one?
The InChIKey is CKWVCZARTLEVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2/c1-8-4-3-5-9(2)13(8)20-11-7-18(14(16)17)12(19)6-10(11)15/h3-7,14H,1-2H3.
What are the key properties of 4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one?
4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one has a molecular weight of 344.16 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(difluoromethyl)-5-(2,6-dimethylphenoxy)pyridin-2-one is sourced from PubChem (CID 172696844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).