CAS
952182-25-1 Purity
96%
952182-25-1 Purity
96%
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Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate
CAS
952182-29-5
Catalog Number
ACM952182295
Category
Other Products
Molecular Weight
244.17
Molecular Formula
C10H7F3N2O2
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Specification
Synonyms
Methyl 5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
IUPAC Name
methyl 5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate
Canonical SMILES
COC(=O)C1=CC2=C(N1)C=CC(=N2)C(F)(F)F
InChI Key
UTXWOBGBLLJBQO-UHFFFAOYSA-N
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate?
The molecular formula of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate is C10H7F3N2O2.
What is the molecular weight of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate?
The molecular weight of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate is 244.17 g/mol.
What is the IUPAC name of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate?
The IUPAC name of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate is methyl 5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxylate.
What is the InChIKey of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate?
The InChIKey of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate is UTXWOBGBLLJBQO-UHFFFAOYSA-N.
What is the Canonical SMILES of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate?
The Canonical SMILES of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate is COC(=O)C1=CC2=C(N1)C=CC(=N2)C(F)(F)F.
How many hydrogen bond donor counts are there in Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate?
There is 1 hydrogen bond donor count in Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate.
What is the hydrogen bond acceptor count in Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate?
There are 6 hydrogen bond acceptor counts in Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate.
How many rotatable bond counts does Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate have?
Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate has 2 rotatable bond counts.
What is the topological polar surface area of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate?
The topological polar surface area of Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate is 55 Å2.
Is Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate a canonicalized compound?
Yes, Methyl 5-(trifluoromethyl)-4-azaindole-2-carboxylate is a canonicalized compound.
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