2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione

C14H10BrFN2O2 — CID 134942833

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
SMILESO=C1Cn2cccc2C(=O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O2/c15-10-4-3-9(11(16)6-10)7-18-13(19)8-17-5-1-2-12(17)14(18)20/h1-6H,7-8H2
InChIKeyYYTLXHNJBVNBNY-UHFFFAOYSA-N
MW337.15 g/mol
LogP2.57
Rot. Bonds2

About 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione

2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione (PubChem CID 134942833) has the molecular formula C14H10BrFN2O2 and a molecular weight of 337.15 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
PubChem CID134942833
Molecular FormulaC14H10BrFN2O2
Molecular Weight337.15 g/mol
Exact Mass335.99
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione
SMILESO=C1Cn2cccc2C(=O)N1Cc1ccc(Br)cc1F
InChIInChI=1S/C14H10BrFN2O2/c15-10-4-3-9(11(16)6-10)7-18-13(19)8-17-5-1-2-12(17)14(18)20/h1-6H,7-8H2
InChIKeyYYTLXHNJBVNBNY-UHFFFAOYSA-N
XLogP2.57
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.15
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione (CID 134942833) is 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione is O=C1Cn2cccc2C(=O)N1Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
The InChIKey is YYTLXHNJBVNBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2/c15-10-4-3-9(11(16)6-10)7-18-13(19)8-17-5-1-2-12(17)14(18)20/h1-6H,7-8H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione?
2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione has a molecular weight of 337.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methyl]-4H-pyrrolo[1,2-a]pyrazine-1,3-dione is sourced from PubChem (CID 134942833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).