3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one

C13H11Br2NO — CID 44531363

IUPAC3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(Br)cc2)c(=O)c1Br
InChIInChI=1S/C13H11Br2NO/c1-7-11(9-3-5-10(14)6-4-9)13(17)12(15)8(2)16-7/h3-6H,1-2H3,(H,16,17)
InChIKeyBTIZLHSKKINEDD-UHFFFAOYSA-N
MW357.05 g/mol
LogP4.18
Rot. Bonds1

About 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one

3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 44531363) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one
PubChem CID44531363
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(-c2ccc(Br)cc2)c(=O)c1Br
InChIInChI=1S/C13H11Br2NO/c1-7-11(9-3-5-10(14)6-4-9)13(17)12(15)8(2)16-7/h3-6H,1-2H3,(H,16,17)
InChIKeyBTIZLHSKKINEDD-UHFFFAOYSA-N
XLogP4.18
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2,6-dimethyl-5-[4-(trifluoromethyl)phenyl]-1H-pyridin-4-one
CID 20080825
3-(4-bromophenyl)-5-chloro-2,6-dimethyl-1H-pyridin-4-one
CID 44528313
3-bromo-5-(4-ethenylphenyl)-2,6-dimethyl-1H-pyridin-4-one
CID 44528829
5-acetyl-4-(4-bromophenyl)-6-methyl-3,4-dihydro-2(1H)-pyridinone
CID 4317096
2,6-Dimethyl-3-phenyl-4(1H)-pyridinone
CID 14950490
3-bromo-2,6-dimethyl-5-phenyl-1H-pyridin-4-one
CID 20080780
3-bromo-5-(4-fluorophenyl)-2,6-dimethyl-1H-pyridin-4-one
CID 20080840
(E)-1-(4-bromo-2-fluorophenyl)-3-(methylamino)but-2-en-1-one
CID 144225397
(E)-1-(4-bromo-2-fluorophenyl)-3-(propan-2-ylamino)but-2-en-1-one
CID 169258371
1-(4-Bromo-phenyl)-3-isopropylimino-propen-1-ol
CID 2277398
1-(4-Bromophenyl)-3-(dimethylamino)-2-buten-1-one
CID 10587932
1-[5-Acetyl-4-(4-bromophenyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]ethanone monohydrate
CID 57417562

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one (CID 44531363) is 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(-c2ccc(Br)cc2)c(=O)c1Br.
What is the InChIKey of 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is BTIZLHSKKINEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c1-7-11(9-3-5-10(14)6-4-9)13(17)12(15)8(2)16-7/h3-6H,1-2H3,(H,16,17).
What are the key properties of 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one?
3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 357.05 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-bromophenyl)-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 44531363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).