1H-Pyrrolo[3,2-B]pyridine-6-boronicacidpinacolester

• CAS: 1045855-91-1
• Catalog Number: ACM1045855911
• Category: Boronic Esters
• Molecular Weight: 244.1g/mol
• Molecular Formula: C13H17BN2O2
• IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CN3)N=C2
• InChI: InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-7-11-10(16-8-9)5-6-15-11/h5-8,15H,1-4H3
• InChI Key: LVVACKKTPDWXJM-UHFFFAOYSA-N
• Complexity: 319
• Covalently-Bonded Unit Count: 1
• Exact Mass: 244.138308g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 18
• Monoisotopic Mass: 244.138308g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 1H-Pyrrolo[3,2-B]pyridine-6-boronicacidpinacolester?

The molecular formula is C13H17BN2O2.

When was the compound created and last modified?

The compound was created on 2008-02-29 and last modified on 2023-12-02.

What is the molecular weight of 1H-Pyrrolo[3,2-B]pyridine-6-boronicacidpinacolester?

The molecular weight is 244.10 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine.

What is the InChIKey of 1H-Pyrrolo[3,2-B]pyridine-6-boronicacidpinacolester?

The InChIKey is LVVACKKTPDWXJM-UHFFFAOYSA-N.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of 1H-Pyrrolo[3,2-B]pyridine-6-boronicacidpinacolester?

The topological polar surface area is 47.1Ų.

Does the compound have any defined atom stereocenter count?

No, the compound does not have any defined atom stereocenter count.

What is the exact mass of 1H-Pyrrolo[3,2-B]pyridine-6-boronicacidpinacolester?

The exact mass is 244.1383080 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.