3,5-dibromo-1-methylpyridin-2-one

C6H5Br2NO — CID 3614350

IUPAC3,5-dibromo-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(Br)c1=O
InChIInChI=1S/C6H5Br2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChIKeyAOJAJTJZSBVNPU-UHFFFAOYSA-N
MW266.92 g/mol
LogP1.91
Rot. Bonds

About 3,5-dibromo-1-methylpyridin-2-one

3,5-dibromo-1-methylpyridin-2-one (PubChem CID 3614350) has the molecular formula C6H5Br2NO and a molecular weight of 266.92 g/mol. Its IUPAC name is 3,5-dibromo-1-methylpyridin-2-one.

Molecular Properties

Compound Name3,5-dibromo-1-methylpyridin-2-one
PubChem CID3614350
Molecular FormulaC6H5Br2NO
Molecular Weight266.92 g/mol
Exact Mass264.87
IUPAC Name3,5-dibromo-1-methylpyridin-2-one
SMILESCn1cc(Br)cc(Br)c1=O
InChIInChI=1S/C6H5Br2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3
InChIKeyAOJAJTJZSBVNPU-UHFFFAOYSA-N
XLogP1.91
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.92
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-methylpyridin-2-one?
The IUPAC name of 3,5-dibromo-1-methylpyridin-2-one (CID 3614350) is 3,5-dibromo-1-methylpyridin-2-one.
What is the SMILES notation for 3,5-dibromo-1-methylpyridin-2-one?
The canonical SMILES for 3,5-dibromo-1-methylpyridin-2-one is Cn1cc(Br)cc(Br)c1=O.
What is the InChIKey of 3,5-dibromo-1-methylpyridin-2-one?
The InChIKey is AOJAJTJZSBVNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br2NO/c1-9-3-4(7)2-5(8)6(9)10/h2-3H,1H3.
What are the key properties of 3,5-dibromo-1-methylpyridin-2-one?
3,5-dibromo-1-methylpyridin-2-one has a molecular weight of 266.92 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-methylpyridin-2-one is sourced from PubChem (CID 3614350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).