3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide

C7H7BrN2O3 — CID 130793038

IUPAC3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide
SMILESCONC(=O)c1cc[nH]c(=O)c1Br
InChIInChI=1S/C7H7BrN2O3/c1-13-10-6(11)4-2-3-9-7(12)5(4)8/h2-3H,1H3,(H,9,12)(H,10,11)
InChIKeyLSPZLOZWNXWOEB-UHFFFAOYSA-N
MW247.05 g/mol
LogP0.43
Rot. Bonds2

About 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide

3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 130793038) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide
PubChem CID130793038
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC Name3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide
SMILESCONC(=O)c1cc[nH]c(=O)c1Br
InChIInChI=1S/C7H7BrN2O3/c1-13-10-6(11)4-2-3-9-7(12)5(4)8/h2-3H,1H3,(H,9,12)(H,10,11)
InChIKeyLSPZLOZWNXWOEB-UHFFFAOYSA-N
XLogP0.43
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide (CID 130793038) is 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide is CONC(=O)c1cc[nH]c(=O)c1Br.
What is the InChIKey of 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is LSPZLOZWNXWOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c1-13-10-6(11)4-2-3-9-7(12)5(4)8/h2-3H,1H3,(H,9,12)(H,10,11).
What are the key properties of 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide?
3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 247.05 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methoxy-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 130793038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).