5-bromo-N-methyl-2-oxopyridine-1-carboxamide

C7H7BrN2O2 — CID 70471044

IUPAC5-bromo-N-methyl-2-oxopyridine-1-carboxamide
SMILESCNC(=O)n1cc(Br)ccc1=O
InChIInChI=1S/C7H7BrN2O2/c1-9-7(12)10-4-5(8)2-3-6(10)11/h2-4H,1H3,(H,9,12)
InChIKeyMCJYOSMQBXWTQV-UHFFFAOYSA-N
MW231.05 g/mol
LogP0.80
Rot. Bonds

About 5-bromo-N-methyl-2-oxopyridine-1-carboxamide

5-bromo-N-methyl-2-oxopyridine-1-carboxamide (PubChem CID 70471044) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-oxopyridine-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-2-oxopyridine-1-carboxamide
PubChem CID70471044
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name5-bromo-N-methyl-2-oxopyridine-1-carboxamide
SMILESCNC(=O)n1cc(Br)ccc1=O
InChIInChI=1S/C7H7BrN2O2/c1-9-7(12)10-4-5(8)2-3-6(10)11/h2-4H,1H3,(H,9,12)
InChIKeyMCJYOSMQBXWTQV-UHFFFAOYSA-N
XLogP0.80
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-oxopyridine-1-carboxamide?
The IUPAC name of 5-bromo-N-methyl-2-oxopyridine-1-carboxamide (CID 70471044) is 5-bromo-N-methyl-2-oxopyridine-1-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-2-oxopyridine-1-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-2-oxopyridine-1-carboxamide is CNC(=O)n1cc(Br)ccc1=O.
What is the InChIKey of 5-bromo-N-methyl-2-oxopyridine-1-carboxamide?
The InChIKey is MCJYOSMQBXWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-9-7(12)10-4-5(8)2-3-6(10)11/h2-4H,1H3,(H,9,12).
What are the key properties of 5-bromo-N-methyl-2-oxopyridine-1-carboxamide?
5-bromo-N-methyl-2-oxopyridine-1-carboxamide has a molecular weight of 231.05 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-oxopyridine-1-carboxamide is sourced from PubChem (CID 70471044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).