5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C8H4BrF3N2O — CID 30772179

IUPAC5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H4BrF3N2O/c1-3-6(9)5(8(10,11)12)4(2-13)7(15)14-3/h1H3,(H,14,15)
InChIKeyLDROYAOVNZFOPG-UHFFFAOYSA-N
MW281.03 g/mol
LogP2.34
Rot. Bonds

About 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 30772179) has the molecular formula C8H4BrF3N2O and a molecular weight of 281.03 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID30772179
Molecular FormulaC8H4BrF3N2O
Molecular Weight281.03 g/mol
Exact Mass279.95
IUPAC Name5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C(F)(F)F)c1Br
InChIInChI=1S/C8H4BrF3N2O/c1-3-6(9)5(8(10,11)12)4(2-13)7(15)14-3/h1H3,(H,14,15)
InChIKeyLDROYAOVNZFOPG-UHFFFAOYSA-N
XLogP2.34
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.03
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 30772179) is 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C(F)(F)F)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is LDROYAOVNZFOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3N2O/c1-3-6(9)5(8(10,11)12)4(2-13)7(15)14-3/h1H3,(H,14,15).
What are the key properties of 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 281.03 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 30772179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).