3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one

C13H13BrN2O — CID 113359293

IUPAC3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one
SMILESNc1cn(CCc2ccccc2)cc(Br)c1=O
InChIInChI=1S/C13H13BrN2O/c14-11-8-16(9-12(15)13(11)17)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,15H2
InChIKeyFYGTZRVHIFEGFR-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.44
Rot. Bonds3

About 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one

3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one (PubChem CID 113359293) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one.

Molecular Properties

Compound Name3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one
PubChem CID113359293
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one
SMILESNc1cn(CCc2ccccc2)cc(Br)c1=O
InChIInChI=1S/C13H13BrN2O/c14-11-8-16(9-12(15)13(11)17)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,15H2
InChIKeyFYGTZRVHIFEGFR-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromopyridin-4-one
CID 103961790
3-amino-5-bromo-1-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-one
CID 116615868
6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 17333776
4-(3-amino-5-bromo-4-oxo-1-pyridinyl)-2,2-dimethylbutanenitrile
CID 103961795
3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
4-[2-(3-bromoindol-1-yl)ethyl]aniline
CID 62805730
2-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208236
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505
5-bromo-2-oxo-1-(2-phenylethyl)pyridine-3-carboxylic acid
CID 165416856
5-bromo-2-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 66307969
3-amino-1-benzyl-5-bromopyridin-2-one
CID 90251201
5-amino-2-(2-phenylethyl)-3H-pyrazol-4-one
CID 23334285

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one?
The IUPAC name of 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one (CID 113359293) is 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one.
What is the SMILES notation for 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one?
The canonical SMILES for 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one is Nc1cn(CCc2ccccc2)cc(Br)c1=O.
What is the InChIKey of 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one?
The InChIKey is FYGTZRVHIFEGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c14-11-8-16(9-12(15)13(11)17)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7,15H2.
What are the key properties of 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one?
3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one has a molecular weight of 293.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one is sourced from PubChem (CID 113359293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).