5-Bromo-2-(piperidin-4-yloxy)pyrimidine

• Catalog Number: ACM792180520
• Product Name: 5-Bromo-2-(piperidin-4-yloxy)pyrimidine
• CAS: 792180-52-0
• Category: Bromine Series
• Synonyms: 5-BROMO-2-(PIPERIDIN-4-YLOXY)PYRIMIDINE
• IUPAC Name: 5-bromo-2-piperidin-4-yloxypyrimidine
• Molecular Weight: 258.12
• Molecular Formula: C9H12BrN3O
• Canonical SMILES: C1CNCCC1OC2=NC=C(C=N2)Br
• InChI Key: BHBAYAHFPQOLRL-UHFFFAOYSA-N
• Boiling Point: 379.5ºC at 760 mmHg
• Flash Point: 183.3ºC
• Density: 1.478g/cm³
• Exact Mass: 257.01600
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C9H12BrN3O.

What is the molecular weight of the compound?

The molecular weight is 258.12 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 5-bromo-2-piperidin-4-yloxypyrimidine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H12BrN3O/c10-7-5-12-9(13-6-7)14-8-1-3-11-4-2-8/h5-6,8,11H,1-4H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES is C1CNCCC1OC2=NC=C(C=N2)Br.

What is the CAS number of the compound?

The CAS number is 792180-52-0.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID is DTXSID40626667.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 1.3.

Is the compound canonicalized?

Yes, the compound is canonicalized.