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

C8H7BrN2O — CID 1075170

IUPAC5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Br)c(C)c1C#N
InChIInChI=1S/C8H7BrN2O/c1-4-6(3-10)5(2)11-8(12)7(4)9/h1-2H3,(H,11,12)
InChIKeyFUFLEXHWMQFYCI-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.63
Rot. Bonds

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

5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 1075170) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is 5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID1075170
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(Br)c(C)c1C#N
InChIInChI=1S/C8H7BrN2O/c1-4-6(3-10)5(2)11-8(12)7(4)9/h1-2H3,(H,11,12)
InChIKeyFUFLEXHWMQFYCI-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-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 737752
5-Bromo-2-methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile
CID 97181315
5,6-Dimethyl-2-oxo-1,2-dihydro-3,4-pyridinedicarbonitrile
CID 13468039
5-Bromo-2-hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile
CID 30772179
5-Bromo-2-hydroxy-6-isopropylnicotinonitrile
CID 71118543
5-bromo-4,6-diethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 132233345
3-bromo-4,5,6-trimethyl-1H-pyridin-2-one
CID 172262858
2-Methyl-6-oxo-1,6-dihydropyridine-3,4-dicarbonitrile
CID 3681588
4,6-Dimethyl-2-oxo-1,2-dihydropyridine-3,5-dicarbonitrile
CID 13805352
3,5,6-Trimethyl-2-oxo-1,2-dihydropyridine-4-carbonitrile
CID 45123380
3-bromo-2-oxo-6-propan-2-yl-1H-pyridine-4-carbonitrile
CID 82622002
3-bromo-2-methyl-6-oxo-1H-pyridine-4-carbonitrile
CID 84071129

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile (CID 1075170) is 5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(Br)c(C)c1C#N.
What is the InChIKey of 5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is FUFLEXHWMQFYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c1-4-6(3-10)5(2)11-8(12)7(4)9/h1-2H3,(H,11,12).
What are the key properties of 5-bromo-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile?
5-bromo-2,4-dimethyl-6-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-2,4-dimethyl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 1075170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).