5-Bromo-2-fluoro-3-pyridineboronic acid

• Catalog Number: ACM501435912
• Product Name: 5-Bromo-2-fluoro-3-pyridineboronic acid
• CAS: 501435-91-2
• Category: Boronic Acids
• Synonyms: 5-BROMO-2-FLUOROPYRIDINE-3-BORONIC ACID;5-BROMO-2-FLUOROPYRIDIN-3-YLBORONIC ACID;5-BROMO-2-FLUORO-3-PYRIDINEBORONIC ACID;(5-BROMO-2-FLUORO-3-PYRIDINYL)-BORONIC ACID;5-Bromo-2-fluoro-3-pyridylboronic acid;5-Bromo-2-Fluoropyridine-3-Bor;5-BROMO-2-FLUOROPYRI
• IUPAC Name: (5-bromo-2-fluoropyridin-3-yl)boronic acid
• Molecular Weight: 219.8
• Molecular Formula: C₅H₄BBrFNO₂
• Canonical SMILES: B(C1=CC(=CN=C1F)Br)(O)O
• InChI Key: YAXKWQSQZIVTFC-UHFFFAOYSA-N
• Boiling Point: 357.1ºC at 760 mmHg
• Melting Point: >300ºC
• Flash Point: 169.7ºC
• Density: 1.86 g/cm³3
• Exact Mass: 218.95000
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Safety Description: S26-S36

Custom Q&A

What is the molecular formula of 5-Bromo-2-fluoro-3-pyridineboronic acid?

The molecular formula is C5H4BBrFNO2.

What is the molecular weight of 5-Bromo-2-fluoro-3-pyridineboronic acid?

The molecular weight is 219.81 g/mol.

What is the IUPAC name of 5-Bromo-2-fluoro-3-pyridineboronic acid?

The IUPAC name is (5-bromo-2-fluoropyridin-3-yl)boronic acid.

What is the InChI of 5-Bromo-2-fluoro-3-pyridineboronic acid?

The InChI is InChI=1S/C5H4BBrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2,10-11H.

What is the InChIKey of 5-Bromo-2-fluoro-3-pyridineboronic acid?

The InChIKey is YAXKWQSQZIVTFC-UHFFFAOYSA-N.

What is the CAS number of 5-Bromo-2-fluoro-3-pyridineboronic acid?

The CAS number is 501435-91-2.

How many hydrogen bond donor counts does 5-Bromo-2-fluoro-3-pyridineboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 5-Bromo-2-fluoro-3-pyridineboronic acid have?

It has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does 5-Bromo-2-fluoro-3-pyridineboronic acid have?

It has 1 rotatable bond count.

Is 5-Bromo-2-fluoro-3-pyridineboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.