3,5-dibromo-2-methyl-1H-pyridin-4-one

C6H5Br2NO — CID 126572034

IUPAC3,5-dibromo-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(Br)c(=O)c1Br
InChIInChI=1S/C6H5Br2NO/c1-3-5(8)6(10)4(7)2-9-3/h2H,1H3,(H,9,10)
InChIKeyOERMVCIHRNBGQT-UHFFFAOYSA-N
MW266.92 g/mol
LogP2.21
Rot. Bonds

About 3,5-dibromo-2-methyl-1H-pyridin-4-one

3,5-dibromo-2-methyl-1H-pyridin-4-one (PubChem CID 126572034) has the molecular formula C6H5Br2NO and a molecular weight of 266.92 g/mol. Its IUPAC name is 3,5-dibromo-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dibromo-2-methyl-1H-pyridin-4-one
PubChem CID126572034
Molecular FormulaC6H5Br2NO
Molecular Weight266.92 g/mol
Exact Mass264.87
IUPAC Name3,5-dibromo-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]cc(Br)c(=O)c1Br
InChIInChI=1S/C6H5Br2NO/c1-3-5(8)6(10)4(7)2-9-3/h2H,1H3,(H,9,10)
InChIKeyOERMVCIHRNBGQT-UHFFFAOYSA-N
XLogP2.21
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.92
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 107627876
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CID 75475898
3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
CID 74891981
3-bromo-6-iodo-7-methyl-1H-1,8-naphthyridin-4-one
CID 102941606
4-bromo-3-(1-chloroethenyl)-2-methyl-1H-pyrrole
CID 123504597
5-ethyl-3-hydroxy-2-methyl-1H-pyridin-4-one
CID 21329341
3-bromo-6-(diethylamino)-1H-quinolin-4-one
CID 114759474
3-bromo-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 70391828
5-bromo-2-methyl-3-(2-methylprop-1-enyl)-1H-pyridin-4-one;ethane;propan-2-ylsulfinylbenzene
CID 143181334
4-bromo-2-fluoro-3-methyl-1H-pyrrole
CID 129216118
4-bromo-3,5,6-trimethyl-1H-pyridin-2-one
CID 14203602
3-bromo-6,7-diethoxy-1H-quinolin-4-one
CID 114759296

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3,5-dibromo-2-methyl-1H-pyridin-4-one (CID 126572034) is 3,5-dibromo-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dibromo-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3,5-dibromo-2-methyl-1H-pyridin-4-one is Cc1[nH]cc(Br)c(=O)c1Br.
What is the InChIKey of 3,5-dibromo-2-methyl-1H-pyridin-4-one?
The InChIKey is OERMVCIHRNBGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO/c1-3-5(8)6(10)4(7)2-9-3/h2H,1H3,(H,9,10).
What are the key properties of 3,5-dibromo-2-methyl-1H-pyridin-4-one?
3,5-dibromo-2-methyl-1H-pyridin-4-one has a molecular weight of 266.92 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 126572034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).