1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one

C13H12BrNO2 — CID 22008821

IUPAC1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one
SMILESCc1ccc(Br)c(C(=O)N2C=CC(=O)CC2)c1
InChIInChI=1S/C13H12BrNO2/c1-9-2-3-12(14)11(8-9)13(17)15-6-4-10(16)5-7-15/h2-4,6,8H,5,7H2,1H3
InChIKeyBWNSXTXXZVEAAQ-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.69
Rot. Bonds1

About 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one

1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one (PubChem CID 22008821) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one
PubChem CID22008821
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one
SMILESCc1ccc(Br)c(C(=O)N2C=CC(=O)CC2)c1
InChIInChI=1S/C13H12BrNO2/c1-9-2-3-12(14)11(8-9)13(17)15-6-4-10(16)5-7-15/h2-4,6,8H,5,7H2,1H3
InChIKeyBWNSXTXXZVEAAQ-UHFFFAOYSA-N
XLogP2.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methylbenzoic acid;ethane
CID 142935649
(2-bromo-5-methylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 80974460
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-bromo-5-methylphenyl)methanone
CID 81109880
(2-bromo-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81112363
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
(2-bromo-5-methylphenyl)-(3-methylthiomorpholin-4-yl)methanone
CID 81002713
(2-bromo-5-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756036
(2-bromo-5-methylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82755048
(2-bromo-5-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80953724
7-(2-bromo-5-methylbenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 81003001
[2-(2-aminoethyl)piperidin-1-yl]-(2-bromo-5-methylphenyl)methanone
CID 81112057

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one (CID 22008821) is 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one is Cc1ccc(Br)c(C(=O)N2C=CC(=O)CC2)c1.
What is the InChIKey of 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one?
The InChIKey is BWNSXTXXZVEAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9-2-3-12(14)11(8-9)13(17)15-6-4-10(16)5-7-15/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one?
1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one has a molecular weight of 294.15 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylbenzoyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 22008821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).