3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide

C9H11BrN2O2 — CID 66309112

IUPAC3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide
SMILESCC(Cn1cc(Br)ccc1=O)C(N)=O
InChIInChI=1S/C9H11BrN2O2/c1-6(9(11)14)4-12-5-7(10)2-3-8(12)13/h2-3,5-6H,4H2,1H3,(H2,11,14)
InChIKeyMQZRBYQAOBUMPS-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.73
Rot. Bonds3

About 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide

3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide (PubChem CID 66309112) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide
PubChem CID66309112
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide
SMILESCC(Cn1cc(Br)ccc1=O)C(N)=O
InChIInChI=1S/C9H11BrN2O2/c1-6(9(11)14)4-12-5-7(10)2-3-8(12)13/h2-3,5-6H,4H2,1H3,(H2,11,14)
InChIKeyMQZRBYQAOBUMPS-UHFFFAOYSA-N
XLogP0.73
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide?
The IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide (CID 66309112) is 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide.
What is the SMILES notation for 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide?
The canonical SMILES for 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide is CC(Cn1cc(Br)ccc1=O)C(N)=O.
What is the InChIKey of 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide?
The InChIKey is MQZRBYQAOBUMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-6(9(11)14)4-12-5-7(10)2-3-8(12)13/h2-3,5-6H,4H2,1H3,(H2,11,14).
What are the key properties of 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide?
3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide has a molecular weight of 259.10 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1-pyridinyl)-2-methylpropanamide is sourced from PubChem (CID 66309112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).