1-(5-Bromopyrimidin-2-yl)-3-pyrrolidinol

• Catalog Number: ACM914347709
• Product Name: 1-(5-Bromopyrimidin-2-yl)-3-pyrrolidinol
• CAS: 914347-70-9
• Category: Bromine Series
• Synonyms: 1-(5-BROMOPYRIMIDIN-2-YL)-3-PYRROLIDINOL
• IUPAC Name: 1-(5-bromopyrimidin-2-yl)pyrrolidin-3-ol
• Molecular Weight: 244.09
• Molecular Formula: C₈H₁₀BrN₃O
• Canonical SMILES: C1CN(CC1O)C2=NC=C(C=N2)Br
• InChI Key: FPQPRAGSEHHYMT-UHFFFAOYSA-N
• Boiling Point: 410ºC at 760 mmHg
• Flash Point: 201.8ºC
• Density: 1.7g/cm³
• Exact Mass: 243.00100
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C8H10BrN3O.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 1-(5-bromopyrimidin-2-yl)pyrrolidin-3-ol.

What is the molecular weight of the compound?

The molecular weight of the compound is 244.09 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H10BrN3O/c9-6-3-10-8(11-4-6)12-2-1-7(13)5-12/h3-4,7,13H,1-2,5H2.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1CN(CC1O)C2=NC=C(C=N2)Br.

What is the CAS number of the compound?

The CAS number of the compound is 914347-70-9.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 1.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 4.

Is the compound canonicalized?

Yes, the compound is canonicalized.