5-Bromo-2-(tetrahydro-2H-pyran-4-yloxy)pyridine

• CAS: 494772-07-5
• Catalog Number: ACM494772075
• Category: Bromine Series
• Molecular Weight: 258.11178
• Molecular Formula: C₁₀H₁₂BrNO₂
• Synonyms: 5-Bromo-2-(tetrahydropyran-4-yloxy)pyridine;5-Bromo-2-(tetrahydropyran-4-yloxy)pyridine 97%;5-bromo-2-(tetrahydro-2H-pyran-4-yloxy)pyridine
• IUPAC Name: 5-bromo-2-(oxan-4-yloxy)pyridine
• Canonical SMILES: C1COCCC1OC2=NC=C(C=C2)Br
• InChI Key: ZCTXTBRJCPHMEP-UHFFFAOYSA-N
• Boiling Point: 320.2ºC at 760 mmHg
• Melting Point: 96-98ºC
• Flash Point: 147.5ºC
• Density: 1.463g/cm³
• Exact Mass: 257.00500
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H12BrNO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 258.11 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-bromo-2-(oxan-4-yloxy)pyridine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H12BrNO2/c11-8-1-2-10(12-7-8)14-9-3-5-13-6-4-9/h1-2,7,9H,3-6H2.

What is the InChIKey of the compound?

The InChIKey of the compound is ZCTXTBRJCPHMEP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1COCCC1OC2=NC=C(C=C2)Br.

What is the CAS number of the compound?

The CAS number of the compound is 494772-07-5.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.3.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.