2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione

C14H9FN2O2 — CID 20866740

IUPAC2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2/c15-10-3-1-9(2-4-10)8-17-13(18)11-5-6-16-7-12(11)14(17)19/h1-7H,8H2
InChIKeyBBWKDAQWICKGRQ-UHFFFAOYSA-N
MW256.24 g/mol
LogP2.02
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione

2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 20866740) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID20866740
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione
SMILESO=C1c2ccncc2C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C14H9FN2O2/c15-10-3-1-9(2-4-10)8-17-13(18)11-5-6-16-7-12(11)14(17)19/h1-7H,8H2
InChIKeyBBWKDAQWICKGRQ-UHFFFAOYSA-N
XLogP2.02
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione (CID 20866740) is 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione is O=C1c2ccncc2C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is BBWKDAQWICKGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-10-3-1-9(2-4-10)8-17-13(18)11-5-6-16-7-12(11)14(17)19/h1-7H,8H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione?
2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 256.24 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 20866740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).