3,5-dibromo-1-(4-methylphenyl)pyridin-2-one

C12H9Br2NO — CID 132581866

IUPAC3,5-dibromo-1-(4-methylphenyl)pyridin-2-one
SMILESCc1ccc(-n2cc(Br)cc(Br)c2=O)cc1
InChIInChI=1S/C12H9Br2NO/c1-8-2-4-10(5-3-8)15-7-9(13)6-11(14)12(15)16/h2-7H,1H3
InChIKeyABNOBJIEKBOIGT-UHFFFAOYSA-N
MW343.02 g/mol
LogP3.67
Rot. Bonds1

About 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one

3,5-dibromo-1-(4-methylphenyl)pyridin-2-one (PubChem CID 132581866) has the molecular formula C12H9Br2NO and a molecular weight of 343.02 g/mol. Its IUPAC name is 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-1-(4-methylphenyl)pyridin-2-one
PubChem CID132581866
Molecular FormulaC12H9Br2NO
Molecular Weight343.02 g/mol
Exact Mass340.91
IUPAC Name3,5-dibromo-1-(4-methylphenyl)pyridin-2-one
SMILESCc1ccc(-n2cc(Br)cc(Br)c2=O)cc1
InChIInChI=1S/C12H9Br2NO/c1-8-2-4-10(5-3-8)15-7-9(13)6-11(14)12(15)16/h2-7H,1H3
InChIKeyABNOBJIEKBOIGT-UHFFFAOYSA-N
XLogP3.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.02
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-1-(4-chlorophenyl)pyridin-2-one
CID 132581863
4-bromo-1-(4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603624
methyl 1-(4-acetylphenyl)-5-bromo-6-oxopyridine-3-carboxylate
CID 661069
5-chloro-1-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 13157207
4-iodo-2-(4-methylphenyl)isoquinolin-1-one
CID 164853851
methyl 5-bromo-6-oxo-1-phenylpyridine-3-carboxylate
CID 22318950
4-bromo-6-hydroxy-2-(4-hydroxyphenyl)isoquinolin-1-one;6-hydroxy-2-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]isoquinolin-1-one;(4-methylphenyl)boronic acid
CID 158269098
6-bromo-3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 718439
7-(4-bromophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-one
CID 53036440
methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate
CID 165416841
3,5-dibromo-1-[(2,6-dimethylphenyl)methyl]pyridin-2-one
CID 113411875
4-(4-bromo-6-methyl-1-oxoisoquinolin-2-yl)-2-methoxybenzaldehyde
CID 144586788

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one?
The IUPAC name of 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one (CID 132581866) is 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one.
What is the SMILES notation for 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one?
The canonical SMILES for 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one is Cc1ccc(-n2cc(Br)cc(Br)c2=O)cc1.
What is the InChIKey of 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one?
The InChIKey is ABNOBJIEKBOIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO/c1-8-2-4-10(5-3-8)15-7-9(13)6-11(14)12(15)16/h2-7H,1H3.
What are the key properties of 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one?
3,5-dibromo-1-(4-methylphenyl)pyridin-2-one has a molecular weight of 343.02 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-(4-methylphenyl)pyridin-2-one is sourced from PubChem (CID 132581866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).