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

• CAS: 458532-88-2
• Catalog Number: ACM458532882
• Category: Other
• Molecular Weight: 223.05g/mol
• Molecular Formula: C11H15BFNO2
• IUPAC Name: 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)F
• InChI: InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13/h5-7H,1-4H3
• InChI Key: MLFGHAHGSVFKMI-UHFFFAOYSA-N
• Complexity: 257
• Covalently-Bonded Unit Count: 1
• Exact Mass: 223.117987g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 223.117987g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The molecular formula is C11H15BFNO2.

What is the molecular weight of 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The molecular weight is 223.05 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

What is the InChI of 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The InChI is InChI=1S/C11H15BFNO2/c1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13/h5-7H,1-4H3.

What is the InChIKey of the compound?

The InChIKey is MLFGHAHGSVFKMI-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)F.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 31.4 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.