5-Methyl-1H-indazole-4-boronic acid

• CAS: 1245816-10-7
• Catalog Number: ACM1245816107
• Category: Boronic Acids
• Molecular Weight: 175.9821
• Molecular Formula: N1c2c(c(c(cc2)C)B(O)O)C=N1
• Synonyms: 4-Borono-5-methyl-1H-indazole
• IUPAC Name: (5-methyl-1H-indazol-4-yl)boronic acid
• Canonical SMILES: B(C1=C(C=CC2=C1C=NN2)C)(O)O
• InChI Key: HRURFOBSNYPWDM-UHFFFAOYSA-N
• Exact Mass: 176.07600
• H-Bond Acceptor: 3
• H-Bond Donor: 3

Custom Q&A

What is the PubChem CID for 5-Methyl-1H-indazole-4-boronic acid?

PubChem CID for 5-Methyl-1H-indazole-4-boronic acid is 44119475.

What is the molecular formula of 5-Methyl-1H-indazole-4-boronic acid?

The molecular formula of 5-Methyl-1H-indazole-4-boronic acid is C8H9BN2O2.

What is the IUPAC name of 5-Methyl-1H-indazole-4-boronic acid?

The IUPAC name of 5-Methyl-1H-indazole-4-boronic acid is (5-methyl-1H-indazol-4-yl)boronic acid.

What is the InChI of 5-Methyl-1H-indazole-4-boronic acid?

The InChI of 5-Methyl-1H-indazole-4-boronic acid is InChI=1S/C8H9BN2O2/c1-5-2-3-7-6(4-10-11-7)8(5)9(12)13/h2-4,12-13H,1H3,(H,10,11).

What is the InChIKey of 5-Methyl-1H-indazole-4-boronic acid?

The InChIKey of 5-Methyl-1H-indazole-4-boronic acid is HRURFOBSNYPWDM-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Methyl-1H-indazole-4-boronic acid?

The canonical SMILES of 5-Methyl-1H-indazole-4-boronic acid is B(C1=C(C=CC2=C1C=NN2)C)(O)O.

What is the CAS number of 5-Methyl-1H-indazole-4-boronic acid?

The CAS number of 5-Methyl-1H-indazole-4-boronic acid is 1245816-10-7.

What is the molecular weight of 5-Methyl-1H-indazole-4-boronic acid?

The molecular weight of 5-Methyl-1H-indazole-4-boronic acid is 175.98 g/mol.

How many hydrogen bond donor counts does 5-Methyl-1H-indazole-4-boronic acid have?

5-Methyl-1H-indazole-4-boronic acid has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-Methyl-1H-indazole-4-boronic acid have?

5-Methyl-1H-indazole-4-boronic acid has 3 hydrogen bond acceptor counts.

Synthetic Use

Downstream Synthesis Route 1

• 1421067-10-8
• 1245816-10-7

• 1421253-66-8

Reference: [1]Patent: WO2013/16197,2013,A1 .Location in patent: Page/Page column 186

Downstream Synthesis Route 2

• 1245816-10-7
• 1421253-95-3

• 1421251-36-6

Reference: [1]Patent: WO2013/16197,2013,A1 .Location in patent: Page/Page column 218-219

Downstream Synthesis Route 3

• 1245816-10-7
• 1421254-05-8

• 1421251-52-6

Reference: [1]Patent: WO2013/16197,2013,A1 .Location in patent: Page/Page column 225-227

* For details of the synthesis route, please refer to the original source to ensure accuracy.