5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride

C13H9ClFN3O2 — CID 19595216

IUPAC5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccc(F)cc2C(=O)N1Nc1ccncc1
InChIInChI=1S/C13H8FN3O2.ClH/c14-8-1-2-10-11(7-8)13(19)17(12(10)18)16-9-3-5-15-6-4-9;/h1-7H,(H,15,16);1H
InChIKeyDZAXKBPKALKBFZ-UHFFFAOYSA-N
MW293.69 g/mol
LogP2.27
Rot. Bonds2

About 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride

5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride (PubChem CID 19595216) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride
PubChem CID19595216
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride
SMILESCl.O=C1c2ccc(F)cc2C(=O)N1Nc1ccncc1
InChIInChI=1S/C13H8FN3O2.ClH/c14-8-1-2-10-11(7-8)13(19)17(12(10)18)16-9-3-5-15-6-4-9;/h1-7H,(H,15,16);1H
InChIKeyDZAXKBPKALKBFZ-UHFFFAOYSA-N
XLogP2.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride?
The IUPAC name of 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride (CID 19595216) is 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride is Cl.O=C1c2ccc(F)cc2C(=O)N1Nc1ccncc1.
What is the InChIKey of 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride?
The InChIKey is DZAXKBPKALKBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O2.ClH/c14-8-1-2-10-11(7-8)13(19)17(12(10)18)16-9-3-5-15-6-4-9;/h1-7H,(H,15,16);1H.
What are the key properties of 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride?
5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride has a molecular weight of 293.69 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(pyridin-4-ylamino)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 19595216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).