1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

C11H7BrF3NOS — CID 81318591

IUPAC1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1Cc1ccc(Br)s1
InChIInChI=1S/C11H7BrF3NOS/c12-9-5-4-7(18-9)6-16-8(11(13,14)15)2-1-3-10(16)17/h1-5H,6H2
InChIKeyHRPCYNZYKUJSSY-UHFFFAOYSA-N
MW338.15 g/mol
LogP3.74
Rot. Bonds2

About 1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one

1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81318591) has the molecular formula C11H7BrF3NOS and a molecular weight of 338.15 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81318591
Molecular FormulaC11H7BrF3NOS
Molecular Weight338.15 g/mol
Exact Mass336.94
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one
SMILESO=c1cccc(C(F)(F)F)n1Cc1ccc(Br)s1
InChIInChI=1S/C11H7BrF3NOS/c12-9-5-4-7(18-9)6-16-8(11(13,14)15)2-1-3-10(16)17/h1-5H,6H2
InChIKeyHRPCYNZYKUJSSY-UHFFFAOYSA-N
XLogP3.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319537
1-[(2-aminophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320413
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319879
1-(2-oxobutyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319664
1-(5-sulfanylpentyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319674
1-[(2-amino-6-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319649
1-(3-aminopropyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319762
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320327
1-[2-(bromomethyl)-2-ethylbutyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319271
1-[(5-bromothiophen-2-yl)methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 55733622
1-(6-chlorohexyl)-6-(trifluoromethyl)pyridin-2-one
CID 81318678
1-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319773

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one (CID 81318591) is 1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one is O=c1cccc(C(F)(F)F)n1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is HRPCYNZYKUJSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NOS/c12-9-5-4-7(18-9)6-16-8(11(13,14)15)2-1-3-10(16)17/h1-5H,6H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one?
1-[(5-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 338.15 g/mol, XLogP of 3.74, 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]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81318591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).