CAS
96591-14-9 Purity
96%
96591-14-9 Purity
96%
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2-(4-(6-bromopyridin-3-yl)-1-methyl-1H-imidazol-2-yl)pyridine
CAS
96592-19-7
Catalog Number
ACM96592197
Category
Other Products
Molecular Weight
239.22792;g/mol
Molecular Formula
C10H13N3O4
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Specification
IUPAC Name
4-amino-1-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
SMILES
C1=CN(C(=O)N=C1N)C2C=C(C(C2O)O)CO
InChI Key
DUJGMZAICVPCBJ-VDAHYXPESA-N
Exact Mass
268.96200
What is the molecular formula of the compound?
The molecular formula of the compound is C9H8BrN3S.
When was the compound created and modified?
The compound was created on October 19, 2012, and modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-bromo-2-(1-methylimidazol-2-yl)sulfanylpyridine.
What is the InChIKey of the compound?
The InChIKey of the compound is VSVGPUVFAOAUEL-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CN1C=CN=C1SC2=C(C=CC=N2)Br.
What is the molecular weight of the compound?
The molecular weight of the compound is 270.15 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.4.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 56 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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