Structure

6-(Ethyl(methyl)amino)pyridin-2-ylboronic acid

CAS
1264153-68-5
Catalog Number
ACM1264153685
Category
Boro-Amino Acids

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What is the IUPAC name of the compound?

The IUPAC name of the compound is [6-[ethyl(methyl)amino]pyridin-2-yl]boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H13BN2O2/c1-3-11(2)8-6-4-5-7(10-8)9(12)13/h4-6,12-13H,3H2,1-2H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

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

What is the molecular weight of the compound?

The molecular weight of the compound is 180.01 g/mol.

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 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the molecule have?

The molecule has 3 rotatable bond counts.

What is the exact mass of the compound?

The exact mass of the compound is 180.1070078 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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