5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide

C7H7BrN2O2 — CID 118598656

IUPAC5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(Br)c(=O)[nH]c1C(N)=O
InChIInChI=1S/C7H7BrN2O2/c1-3-2-4(8)7(12)10-5(3)6(9)11/h2H,1H3,(H2,9,11)(H,10,12)
InChIKeyAIYHKFRDKGXTFO-UHFFFAOYSA-N
MW231.05 g/mol
LogP0.54
Rot. Bonds1

About 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide

5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 118598656) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide
PubChem CID118598656
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cc(Br)c(=O)[nH]c1C(N)=O
InChIInChI=1S/C7H7BrN2O2/c1-3-2-4(8)7(12)10-5(3)6(9)11/h2H,1H3,(H2,9,11)(H,10,12)
InChIKeyAIYHKFRDKGXTFO-UHFFFAOYSA-N
XLogP0.54
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide (CID 118598656) is 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide is Cc1cc(Br)c(=O)[nH]c1C(N)=O.
What is the InChIKey of 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is AIYHKFRDKGXTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-3-2-4(8)7(12)10-5(3)6(9)11/h2H,1H3,(H2,9,11)(H,10,12).
What are the key properties of 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide?
5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 231.05 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 118598656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).