1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one

C11H6BrClF3NOS — CID 55733622

IUPAC1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccc(Br)s1
InChIInChI=1S/C11H6BrClF3NOS/c12-9-2-1-7(19-9)5-17-4-6(11(14,15)16)3-8(13)10(17)18/h1-4H,5H2
InChIKeyHFNRZWMERZDUCG-UHFFFAOYSA-N
MW372.59 g/mol
LogP4.39
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one

1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one (PubChem CID 55733622) has the molecular formula C11H6BrClF3NOS and a molecular weight of 372.59 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
PubChem CID55733622
Molecular FormulaC11H6BrClF3NOS
Molecular Weight372.59 g/mol
Exact Mass370.90
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccc(Br)s1
InChIInChI=1S/C11H6BrClF3NOS/c12-9-2-1-7(19-9)5-17-4-6(11(14,15)16)3-8(13)10(17)18/h1-4H,5H2
InChIKeyHFNRZWMERZDUCG-UHFFFAOYSA-N
XLogP4.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-(trifluoromethyl)-1-(trimethylsilylmethyl)pyridin-2-one
CID 56570581
1-(2-amino-2-methylpropyl)-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 82144141
1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 71881599
3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894290
N-(4-bromo-2-chlorophenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24566337
3-chloro-1-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 2458121
3-chloro-1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 2467447
1-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 24562648
3-chloro-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 55733591
N-carbamoyl-3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanamide
CID 51074834
N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81318591

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one (CID 55733622) is 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one is O=c1c(Cl)cc(C(F)(F)F)cn1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is HFNRZWMERZDUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF3NOS/c12-9-2-1-7(19-9)5-17-4-6(11(14,15)16)3-8(13)10(17)18/h1-4H,5H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one?
1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 372.59 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 55733622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).