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

• CAS: 1150561-70-8
• Catalog Number: ACM1150561708
• Category: Other Products; Boronic Esters
• Molecular Weight: 244.1
• Molecular Formula: C₁₃H₁₇BN₂O₂
• 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
• 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: 4
• H-Bond Donor: 0

Custom Reviews

May 23, 2023

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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.

Custom Q&A

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.