N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide

C8H9BrN2O2 — CID 131063416

IUPACN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(Br)cn(C)c1=O
InChIInChI=1S/C8H9BrN2O2/c1-5(12)10-7-3-6(9)4-11(2)8(7)13/h3-4H,1-2H3,(H,10,12)
InChIKeyKZMBLOLUIVVTPL-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.11
Rot. Bonds1

About N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide (PubChem CID 131063416) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide
PubChem CID131063416
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide
SMILESCC(=O)Nc1cc(Br)cn(C)c1=O
InChIInChI=1S/C8H9BrN2O2/c1-5(12)10-7-3-6(9)4-11(2)8(7)13/h3-4H,1-2H3,(H,10,12)
InChIKeyKZMBLOLUIVVTPL-UHFFFAOYSA-N
XLogP1.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide?
The IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide (CID 131063416) is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide?
The canonical SMILES for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide is CC(=O)Nc1cc(Br)cn(C)c1=O.
What is the InChIKey of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide?
The InChIKey is KZMBLOLUIVVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-5(12)10-7-3-6(9)4-11(2)8(7)13/h3-4H,1-2H3,(H,10,12).
What are the key properties of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide?
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide has a molecular weight of 245.08 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 131063416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).