6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione

C14H10FN3O2 — CID 62316965

IUPAC6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESNCc1cc(N2C(=O)c3cccnc3C2=O)ccc1F
InChIInChI=1S/C14H10FN3O2/c15-11-4-3-9(6-8(11)7-16)18-13(19)10-2-1-5-17-12(10)14(18)20/h1-6H,7,16H2
InChIKeyPCUQMNKDWHDGQW-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.48
Rot. Bonds2

About 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 62316965) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID62316965
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESNCc1cc(N2C(=O)c3cccnc3C2=O)ccc1F
InChIInChI=1S/C14H10FN3O2/c15-11-4-3-9(6-8(11)7-16)18-13(19)10-2-1-5-17-12(10)14(18)20/h1-6H,7,16H2
InChIKeyPCUQMNKDWHDGQW-UHFFFAOYSA-N
XLogP1.48
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.48
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 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 62316965) is 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione is NCc1cc(N2C(=O)c3cccnc3C2=O)ccc1F.
What is the InChIKey of 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is PCUQMNKDWHDGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-11-4-3-9(6-8(11)7-16)18-13(19)10-2-1-5-17-12(10)14(18)20/h1-6H,7,16H2.
What are the key properties of 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 271.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)-4-fluorophenyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 62316965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).