5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C7H5BrN2O2 — CID 70833654

IUPAC5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(O)c1Br
InChIInChI=1S/C7H5BrN2O2/c1-3-5(8)6(11)4(2-9)7(12)10-3/h1H3,(H2,10,11,12)
InChIKeyQDTQSKDCWQTNJI-UHFFFAOYSA-N
MW229.03 g/mol
LogP1.02
Rot. Bonds

About 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70833654) has the molecular formula C7H5BrN2O2 and a molecular weight of 229.03 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70833654
Molecular FormulaC7H5BrN2O2
Molecular Weight229.03 g/mol
Exact Mass227.95
IUPAC Name5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(O)c1Br
InChIInChI=1S/C7H5BrN2O2/c1-3-5(8)6(11)4(2-9)7(12)10-3/h1H3,(H2,10,11,12)
InChIKeyQDTQSKDCWQTNJI-UHFFFAOYSA-N
XLogP1.02
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.03
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 70833654) is 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(O)c1Br.
What is the InChIKey of 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is QDTQSKDCWQTNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O2/c1-3-5(8)6(11)4(2-9)7(12)10-3/h1H3,(H2,10,11,12).
What are the key properties of 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 229.03 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70833654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).