2-Cyano-3-methylpyridine-5-boronic acid,pinacol ester

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CAS
1150561-70-8
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Purity
97%
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Catalog Number

ACM1150561708

Product Name

2-Cyano-3-methylpyridine-5-boronic acid,pinacol ester

Structure

CAS

1150561-70-8

Category

Heterocyclic Organic Compound

Synonyms

1150561-70-8, 3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinonitrile, 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester, CTK8B3687, ANW-42944, RB2110, AKOS015999303, MB11508, AK-92110, BD230279, KB-23356, A-5179, 2-Cyano-3-methylpyridine-5-boronic acid pinacol ester, 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester,, 6-CYANO-5-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTER, 3-METHYLPYRIDINE-2-CARBONITRILE-5-BORONIC ACID PINACOL ESTER, 3-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDINE-2-CARBONITRILE

IUPAC Name

3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile

Molecular Weight

244.1

Molecular Formula

C₁₃H₁₇BN₂O₂

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)C#N)C

InChI Key

HQSMPPQBXULOMO-UHFFFAOYSA-N

Exact Mass

244.13800

H-Bond Acceptor

H-Bond Donor

MSDS

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COA

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Spec Sheet

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May 23, 2023

Work good in drug synthesis.

2-Cyano-3-methylpyridine-5-boronic acid,pinacol ester can efficiently prepare TGF-β1 inhibitors and activin A signal transduction.

What is the molecular formula of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester?

The molecular formula is C13H19BN2O3.

What is the molecular weight of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester?

The molecular weight is 262.11 g/mol.

What is the IUPAC name of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester?

The IUPAC name is (6-cyano-5-methylpyridin-3-yl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid.

What is the InChI of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester?

The InChI is InChI=1S/C13H19BN2O3/c1-9-6-10(8-16-11(9)7-15)14(18)19-13(4,5)12(2,3)17/h6,8,17-18H,1-5H3.

What is the InChIKey of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester?

The InChIKey is QOENVFUTYLPBQM-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester?

The canonical SMILES is B(C1=CC(=C(N=C1)C#N)C)(O)OC(C)(C)C(C)(C)O.

What is the hydrogen bond donor count of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester?

The hydrogen bond acceptor count is 5.

What is the rotatable bond count of 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester?

The rotatable bond count is 4.

Is 2-Cyano-3-methylpyridine-5-boronic acid, pinacol ester a canonicalized compound?

Yes, it is canonicalized.

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