2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester

• CAS: 741709-67-1
• Catalog Number: ACM741709671
• Category: Boronic Esters
• Molecular Weight: 307.504270 [g/mol]
• Molecular Formula: C₁₂H₁₄BClF₃NO₂
• Synonyms: 741709-67-1, 2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine, 2-chloro-3-(trifluoromethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, CTK8B6284, ANW-53213, RB2106, AKOS015999638, RL04811, AK-94561, KB-22070
• IUPAC Name: 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)Cl)C(F)(F)F
• InChI Key: DHNHWFXDOLYRBO-UHFFFAOYSA-N
• Exact Mass: 307.07600
• H-Bond Acceptor: 6
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester?

The molecular formula is C12H14BClF3NO2.

What is the molecular weight of 2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester?

The molecular weight is 307.50 g/mol.

What is the IUPAC name of 2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester?

The IUPAC name is 2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)pyridine.

What is the InChI of 2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester?

The InChI is InChI=1S/C12H14BClF3NO2/c1-10(2)11(3,4)20-13(19-10)7-5-8(12(15,16)17)9(14)18-6-7/h5-6H,1-4H3.

What is the InChIKey of 2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester?

The InChIKey is DHNHWFXDOLYRBO-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester?

The Canonical SMILES representation is B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)Cl)C(F)(F)F.

How many hydrogen bond donor counts are there in 2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester?

There are 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in 2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester?

There are 6 hydrogen bond acceptor counts.

What is the topological polar surface area of 2-Chloro-3-(trifluoromethyl)-pyridine-5-boronic acid pinacol ester?

The topological polar surface area is 31.4Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.