5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

C8H7BrN2O — CID 737752

IUPAC5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1Br
InChIInChI=1S/C8H7BrN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
InChIKeyDFGKQCOFARYQOA-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.63
Rot. Bonds

About 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 737752) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID737752
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1Br
InChIInChI=1S/C8H7BrN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
InChIKeyDFGKQCOFARYQOA-UHFFFAOYSA-N
XLogP1.63
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile
CID 2781722
2-Hydroxy-4,5,6-trimethylnicotinonitrile
CID 642508
5-Bromo-2-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
CID 97181315
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 590532
5,6-Dimethyl-2-oxo-1,2-dihydro-3,4-pyridinedicarbonitrile
CID 13468039
6-Ethyl-5-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 595279
4-Bromo-3,5,6-trimethyl-1,2-dihydropyridin-2-one
CID 14203602
5-Amino-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 23008631
6-Methyl-2-oxo-5-ethyl-1,2-dihydropyridine-3,4-dicarbonitrile
CID 129753035
5-Fluoro-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 67124175
5-Bromo-2,4-dimethyl-6-oxo-1,6-dihydro-3-pyridinecarbonitrile
CID 1075170
3-Cyano-5-ethyl-4,6-dimethyl-pyridin-2-ol
CID 595327

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 737752) is 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C)c1Br.
What is the InChIKey of 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is DFGKQCOFARYQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12).
What are the key properties of 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 227.06 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 737752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).