5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C9H9BrN2O3 — CID 88699652

IUPAC5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(N)=O)cc1C(=O)CBr
InChIInChI=1S/C9H9BrN2O3/c1-4-5(7(13)3-10)2-6(8(11)14)9(15)12-4/h2H,3H2,1H3,(H2,11,14)(H,12,15)
InChIKeyIINKPWGZQVYWKZ-UHFFFAOYSA-N
MW273.09 g/mol
LogP0.36
Rot. Bonds3

About 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 88699652) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID88699652
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(N)=O)cc1C(=O)CBr
InChIInChI=1S/C9H9BrN2O3/c1-4-5(7(13)3-10)2-6(8(11)14)9(15)12-4/h2H,3H2,1H3,(H2,11,14)(H,12,15)
InChIKeyIINKPWGZQVYWKZ-UHFFFAOYSA-N
XLogP0.36
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 88699652) is 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(N)=O)cc1C(=O)CBr.
What is the InChIKey of 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IINKPWGZQVYWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c1-4-5(7(13)3-10)2-6(8(11)14)9(15)12-4/h2H,3H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 273.09 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoacetyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 88699652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).