5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one

C13H8BrN3O — CID 122588307

IUPAC5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one
SMILESNc1ncc(Br)cc1-c1ccc2c(c1)C=NC2=O
InChIInChI=1S/C13H8BrN3O/c14-9-4-11(12(15)16-6-9)7-1-2-10-8(3-7)5-17-13(10)18/h1-6H,(H2,15,16)
InChIKeyDINWYNAGOPMQRT-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.67
Rot. Bonds1

About 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one

5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one (PubChem CID 122588307) has the molecular formula C13H8BrN3O and a molecular weight of 302.13 g/mol. Its IUPAC name is 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one.

Molecular Properties

Compound Name5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one
PubChem CID122588307
Molecular FormulaC13H8BrN3O
Molecular Weight302.13 g/mol
Exact Mass300.99
IUPAC Name5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one
SMILESNc1ncc(Br)cc1-c1ccc2c(c1)C=NC2=O
InChIInChI=1S/C13H8BrN3O/c14-9-4-11(12(15)16-6-9)7-1-2-10-8(3-7)5-17-13(10)18/h1-6H,(H2,15,16)
InChIKeyDINWYNAGOPMQRT-UHFFFAOYSA-N
XLogP2.67
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one?
The IUPAC name of 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one (CID 122588307) is 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one.
What is the SMILES notation for 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one?
The canonical SMILES for 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one is Nc1ncc(Br)cc1-c1ccc2c(c1)C=NC2=O.
What is the InChIKey of 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one?
The InChIKey is DINWYNAGOPMQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O/c14-9-4-11(12(15)16-6-9)7-1-2-10-8(3-7)5-17-13(10)18/h1-6H,(H2,15,16).
What are the key properties of 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one?
5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one has a molecular weight of 302.13 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-5-bromo-3-pyridinyl)isoindol-1-one is sourced from PubChem (CID 122588307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).