1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one

C13H13BrN2O — CID 114760507

IUPAC1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one
SMILESNC(Cn1cccc(Br)c1=O)c1ccccc1
InChIInChI=1S/C13H13BrN2O/c14-11-7-4-8-16(13(11)17)9-12(15)10-5-2-1-3-6-10/h1-8,12H,9,15H2
InChIKeyOUGDMACKVSRTLL-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.31
Rot. Bonds3

About 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one

1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one (PubChem CID 114760507) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one
PubChem CID114760507
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one
SMILESNC(Cn1cccc(Br)c1=O)c1ccccc1
InChIInChI=1S/C13H13BrN2O/c14-11-7-4-8-16(13(11)17)9-12(15)10-5-2-1-3-6-10/h1-8,12H,9,15H2
InChIKeyOUGDMACKVSRTLL-UHFFFAOYSA-N
XLogP2.31
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one?
The IUPAC name of 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one (CID 114760507) is 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one.
What is the SMILES notation for 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one?
The canonical SMILES for 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one is NC(Cn1cccc(Br)c1=O)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one?
The InChIKey is OUGDMACKVSRTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-11-7-4-8-16(13(11)17)9-12(15)10-5-2-1-3-6-10/h1-8,12H,9,15H2.
What are the key properties of 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one?
1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one has a molecular weight of 293.16 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylethyl)-3-bromopyridin-2-one is sourced from PubChem (CID 114760507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).