2-(Pyrrolidin-1-yl)pyridine-3-boronicacid

• CAS: 1257648-75-1
• Catalog Number: ACM1257648751
• Category: Boro-Amino Acids
• Molecular Weight: 192.03g/mol
• Molecular Formula: C9H13BN2O2
• IUPAC Name: (2-pyrrolidin-1-ylpyridin-3-yl)boronic acid
• Canonical SMILES: B(C1=C(N=CC=C1)N2CCCC2)(O)O
• InChI: InChI=1S/C9H13BN2O2/c13-10(14)8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5,13-14H,1-2,6-7H2
• InChI Key: ROELQLBROWVGFW-UHFFFAOYSA-N
• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Exact Mass: 192.107008g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 14
• Monoisotopic Mass: 192.107008g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the IUPAC name of the compound with PubChem CID 46738016?

(2-pyrrolidin-1-ylpyridin-3-yl)boronic acid

What is the molecular formula of the compound?

C9H13BN2O2

What is the molecular weight of the compound?

192.03 g/mol

What is the Canonical SMILES notation for the compound?

B(C1=C(N=CC=C1)N2CCCC2)(O)O

How many hydrogen bond donor counts are there in the compound?

2

What is the exact mass of the compound?

192.1070078 g/mol

What is the topological polar surface area of the compound?

56.6 Ų

Is the compound canonicalized?

Yes

How many rotatable bond counts are there in the compound?

2

What is the InChIKey of the compound?

ROELQLBROWVGFW-UHFFFAOYSA-N