5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one

C11H11BrN2OS — CID 115380202

IUPAC5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2sccc2Br)ccc1=O
InChIInChI=1S/C11H11BrN2OS/c1-14-7-8(2-3-11(14)15)13-6-10-9(12)4-5-16-10/h2-5,7,13H,6H2,1H3
InChIKeyHDXBFYHNTXPLCE-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.82
Rot. Bonds3

About 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one

5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one (PubChem CID 115380202) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
PubChem CID115380202
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2sccc2Br)ccc1=O
InChIInChI=1S/C11H11BrN2OS/c1-14-7-8(2-3-11(14)15)13-6-10-9(12)4-5-16-10/h2-5,7,13H,6H2,1H3
InChIKeyHDXBFYHNTXPLCE-UHFFFAOYSA-N
XLogP2.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4,5-dibromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 102834614
5-[(4-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 60932450
5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 54866057
N-[(3-bromothiophen-2-yl)methyl]-1,4-dimethylimidazol-2-amine
CID 106577745
5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
CID 66386976
5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345735
5-[(4-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866090
5-[(5-chlorothiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 60930792
N-[(3-bromothiophen-2-yl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 86801647
tert-butyl N-[4-[(3-bromothiophen-2-yl)methylamino]phenyl]carbamate
CID 104756602
N-[(3-bromothiophen-2-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838312
N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one (CID 115380202) is 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one is Cn1cc(NCc2sccc2Br)ccc1=O.
What is the InChIKey of 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
The InChIKey is HDXBFYHNTXPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-14-7-8(2-3-11(14)15)13-6-10-9(12)4-5-16-10/h2-5,7,13H,6H2,1H3.
What are the key properties of 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one?
5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one has a molecular weight of 299.19 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromothiophen-2-yl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 115380202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).