3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one

C14H15BrN2O — CID 82519188

IUPAC3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2ccc(Br)cc2)ccc(CN)c1=O
InChIInChI=1S/C14H15BrN2O/c1-2-17-13(8-5-11(9-16)14(17)18)10-3-6-12(15)7-4-10/h3-8H,2,9,16H2,1H3
InChIKeyUWHUTFKOMHEDJJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.76
Rot. Bonds3

About 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one

3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one (PubChem CID 82519188) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one
PubChem CID82519188
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2ccc(Br)cc2)ccc(CN)c1=O
InChIInChI=1S/C14H15BrN2O/c1-2-17-13(8-5-11(9-16)14(17)18)10-3-6-12(15)7-4-10/h3-8H,2,9,16H2,1H3
InChIKeyUWHUTFKOMHEDJJ-UHFFFAOYSA-N
XLogP2.76
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one
CID 162212561
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
3-(aminomethyl)-1-ethyl-6-propylpyridin-2-one
CID 105448466
1-ethyl-6-(4-propan-2-ylphenyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82520429
3-(aminomethyl)-1-[2-(dimethylamino)ethyl]-6-(4-methoxyphenyl)pyridin-2-one
CID 82189452
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
5-(4-bromophenyl)-1-ethylimidazol-2-amine
CID 6917234
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403
3-(1-aminoethyl)-1-ethyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520425
2-[6-(3,4-dichlorophenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82519123
1-ethyl-6-(4-fluorophenyl)-2-oxopyridine-3-carbothioamide
CID 82519615

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one (CID 82519188) is 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one is CCn1c(-c2ccc(Br)cc2)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one?
The InChIKey is UWHUTFKOMHEDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-17-13(8-5-11(9-16)14(17)18)10-3-6-12(15)7-4-10/h3-8H,2,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one?
3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one has a molecular weight of 307.19 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one is sourced from PubChem (CID 82519188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).