4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one

C9H9BrClN3O — CID 107143665

IUPAC4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ncc(Cl)cc2Br)CN1
InChIInChI=1S/C9H9BrClN3O/c10-7-1-5(11)3-13-9(7)14-6-2-8(15)12-4-6/h1,3,6H,2,4H2,(H,12,15)(H,13,14)
InChIKeyRWCCWCQGCIQIEO-UHFFFAOYSA-N
MW290.55 g/mol
LogP1.80
Rot. Bonds2

About 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one

4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 107143665) has the molecular formula C9H9BrClN3O and a molecular weight of 290.55 g/mol. Its IUPAC name is 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one
PubChem CID107143665
Molecular FormulaC9H9BrClN3O
Molecular Weight290.55 g/mol
Exact Mass288.96
IUPAC Name4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESO=C1CC(Nc2ncc(Cl)cc2Br)CN1
InChIInChI=1S/C9H9BrClN3O/c10-7-1-5(11)3-13-9(7)14-6-2-8(15)12-4-6/h1,3,6H,2,4H2,(H,12,15)(H,13,14)
InChIKeyRWCCWCQGCIQIEO-UHFFFAOYSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one (CID 107143665) is 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one is O=C1CC(Nc2ncc(Cl)cc2Br)CN1.
What is the InChIKey of 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is RWCCWCQGCIQIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3O/c10-7-1-5(11)3-13-9(7)14-6-2-8(15)12-4-6/h1,3,6H,2,4H2,(H,12,15)(H,13,14).
What are the key properties of 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one?
4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 290.55 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-5-chloro-2-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 107143665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).