1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol

C9H12BrN3O2 — CID 106667492

IUPAC1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol
SMILESNc1cncc(Br)c1N1CC(O)C(O)C1
InChIInChI=1S/C9H12BrN3O2/c10-5-1-12-2-6(11)9(5)13-3-7(14)8(15)4-13/h1-2,7-8,14-15H,3-4,11H2
InChIKeySXSJSLVXFRQLGS-UHFFFAOYSA-N
MW274.12 g/mol
LogP-0.03
Rot. Bonds1

About 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol

1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol (PubChem CID 106667492) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol
PubChem CID106667492
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol
SMILESNc1cncc(Br)c1N1CC(O)C(O)C1
InChIInChI=1S/C9H12BrN3O2/c10-5-1-12-2-6(11)9(5)13-3-7(14)8(15)4-13/h1-2,7-8,14-15H,3-4,11H2
InChIKeySXSJSLVXFRQLGS-UHFFFAOYSA-N
XLogP-0.03
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol (CID 106667492) is 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol is Nc1cncc(Br)c1N1CC(O)C(O)C1.
What is the InChIKey of 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol?
The InChIKey is SXSJSLVXFRQLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c10-5-1-12-2-6(11)9(5)13-3-7(14)8(15)4-13/h1-2,7-8,14-15H,3-4,11H2.
What are the key properties of 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol?
1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol has a molecular weight of 274.12 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-bromo-4-pyridinyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106667492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).