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Structure

6-(Ethylcarbamoyl)pyridin-3-ylboronic acid

CAS
944794-82-5
Catalog Number
ACM944794825
Category
Other Products
Molecular Weight
194.09
Molecular Formula
C8H11BN2O3

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Specification

Synonyms
SureCN2301348, 6-(ethylcarbamoyl)pyridin-3-ylboronic acid, KB-247211, 944794-82-5
IUPAC Name
[6-(ethylcarbamoyl)pyridin-3-yl]boronic acid
Canonical SMILES
B(C1=CN=C(C=C1)C(=O)NCC)(O)O
InChI Key
KPFXJXXKUBFCRT-UHFFFAOYSA-N
Exact Mass
194.08600
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

The molecular formula is C8H11BN2O3.

What is the molecular weight of 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

The molecular weight is 194.00 g/mol.

What is the IUPAC name of 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

The IUPAC name is [6-(ethylcarbamoyl)pyridin-3-yl]boronic acid.

What is the InChI of 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

The InChI is InChI=1S/C8H11BN2O3/c1-2-10-8(12)7-4-3-6(5-11-7)9(13)14/h3-5,13-14H,2H2,1H3,(H,10,12).

What is the InChIKey of 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

The InChIKey is KPFXJXXKUBFCRT-UHFFFAOYSA-N.

What is the canonical SMILES of 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

The canonical SMILES is B(C1=CN=C(C=C1)C(=O)NCC)(O)O.

What is the hydrogen bond donor count of 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

The hydrogen bond donor count is 3.

What is the hydrogen bond acceptor count of 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

The hydrogen bond acceptor count is 4.

How many rotatable bonds are there in 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

There are 3 rotatable bonds.

What is the topological polar surface area of 6-(Ethylcarbamoyl)pyridin-3-ylboronic acid?

The topological polar surface area is 82.42.

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