5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C13H9ClFN3O2 — CID 129014364

IUPAC5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESNc1ccc(Oc2cnc3c(c2Cl)CC(=O)N3)c(F)c1
InChIInChI=1S/C13H9ClFN3O2/c14-12-7-4-11(19)18-13(7)17-5-10(12)20-9-2-1-6(16)3-8(9)15/h1-3,5H,4,16H2,(H,17,18,19)
InChIKeyXCKUIKWJIRADGF-UHFFFAOYSA-N
MW293.69 g/mol
LogP2.74
Rot. Bonds2

About 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 129014364) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID129014364
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESNc1ccc(Oc2cnc3c(c2Cl)CC(=O)N3)c(F)c1
InChIInChI=1S/C13H9ClFN3O2/c14-12-7-4-11(19)18-13(7)17-5-10(12)20-9-2-1-6(16)3-8(9)15/h1-3,5H,4,16H2,(H,17,18,19)
InChIKeyXCKUIKWJIRADGF-UHFFFAOYSA-N
XLogP2.74
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 129014364) is 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is Nc1ccc(Oc2cnc3c(c2Cl)CC(=O)N3)c(F)c1.
What is the InChIKey of 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is XCKUIKWJIRADGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c14-12-7-4-11(19)18-13(7)17-5-10(12)20-9-2-1-6(16)3-8(9)15/h1-3,5H,4,16H2,(H,17,18,19).
What are the key properties of 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 293.69 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-fluorophenoxy)-4-chloro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 129014364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).