2-Trifluoromethylpyridine-3-boronicacid

• CAS: 947533-39-3
• Catalog Number: ACM947533393
• Category: Boro-Amino Acids
• Molecular Weight: 191.04
• Molecular Formula: C₆H₅BF₃NO₂

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is [2-(trifluoromethyl)pyridin-3-yl]boronic acid.

What is the molecular weight of the compound?

The molecular weight of the compound is 190.92 g/mol.

What is the InChIKey of the compound?

The InChIKey of the compound is RWKHOCBPUSCGAW-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=C(N=CC=C1)C(F)(F)F)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 947533-39-3.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 6 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 1 rotatable bond count.

What is the exact mass of the compound?

The exact mass of the compound is 191.0365431 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.