1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one

C14H11BrF3NO2 — CID 60673927

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCOc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1Br
InChIInChI=1S/C14H11BrF3NO2/c1-21-12-4-2-9(6-11(12)15)7-19-8-10(14(16,17)18)3-5-13(19)20/h2-6,8H,7H2,1H3
InChIKeyLJOQFDRNBKUCRB-UHFFFAOYSA-N
MW362.15 g/mol
LogP3.69
Rot. Bonds3

About 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 60673927) has the molecular formula C14H11BrF3NO2 and a molecular weight of 362.15 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID60673927
Molecular FormulaC14H11BrF3NO2
Molecular Weight362.15 g/mol
Exact Mass360.99
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCOc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1Br
InChIInChI=1S/C14H11BrF3NO2/c1-21-12-4-2-9(6-11(12)15)7-19-8-10(14(16,17)18)3-5-13(19)20/h2-6,8H,7H2,1H3
InChIKeyLJOQFDRNBKUCRB-UHFFFAOYSA-N
XLogP3.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
CID 1486027
1-[(3-bromo-4-methoxyphenyl)methyl]-5-fluoropyrimidine-2,4-dione
CID 3050978
1-[(3-bromo-4-methoxyphenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901962
1-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridin-2-one
CID 28510606
3-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 54970847
1-[(3-bromo-4-methoxyphenyl)methyl]pyridin-4-one
CID 55127426
1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 28516966
N-[(2,4-dimethoxyphenyl)carbamoyl]-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
CID 4164641
1-benzyl-3-methoxy-5-(trifluoromethyl)pyridin-2-one
CID 134090232
1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 54970751
N,N-dimethyl-3-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzenesulfonamide
CID 30028160
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]-5-(trifluoromethyl)pyridin-2-one
CID 64764832

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 60673927) is 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one is COc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is LJOQFDRNBKUCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO2/c1-21-12-4-2-9(6-11(12)15)7-19-8-10(14(16,17)18)3-5-13(19)20/h2-6,8H,7H2,1H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 362.15 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 60673927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).