CAS
94006-38-9 Purity
96%
94006-38-9 Purity
96%
![3-Pyridinecarbonitrile,1,2-dihydro-6-hydroxy-4-methyl-1-(1-methylethyl)-2-oxo-5-[2-[3-(trifluoromethyl)phenyl]diazenyl]-](https://resource.alfa-chemistry.com/structure/940064-08-4.gif)
![3-Pyridinecarbonitrile,5-[2-(3-bromophenyl)diazenyl]-1,2-dihydro-6-hydroxy-4-methyl-1-(1-methylethyl)-2-oxo-](https://resource.alfa-chemistry.com/structure/940064-21-1.gif)
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3-Pyridinecarbonitrile,5-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]-1,2-dihydro-6-hydroxy-4-methyl-1-(1-methylethyl)-2-oxo-
CAS
940064-44-8
Catalog Number
ACM940064448
Category
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What is the PubChem CID of 3-Pyridinecarbonitrile,5-[2-(2,6-dibromo-4-nitrophenyl)diazenyl]-1,2-dihydro-6-hydroxy-4-methyl-1-(1-methylethyl)-2-oxo-?
The PubChem CID of the compound is 135836058.
What is the molecular formula of mentioned?
The molecular formula is C16H13Br2N5O4.
When was created in PubChem?
The compound was created on January 18, 2019.
What is the IUPAC Name of the compound based on the reference?
The IUPAC Name is 5-[(2,6-dibromo-4-nitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1-propan-2-ylpyridine-3-carbonitrile.
What is the Canonical SMILES of the compound based on the reference?
The Canonical SMILES is CC1=C(C(=O)N(C(=C1C#N)O)C(C)C)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br.
What is the molecular weight of the compound with the keyword?
The molecular weight is 499.1 g/mol.
How many hydrogen bond donor counts are there in the compound according to the reference?
There is 1 hydrogen bond donor count in the compound.
What is the topological polar surface area of the compound as shown in the reference?
The topological polar surface area is 135 Å2.
How many rotatable bond counts are there in the compound based on the reference?
There are 3 rotatable bond counts in the compound.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
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