2-(4-fluorophenyl)-5-pentoxypyrazine

C15H17FN2O — CID 14122079

IUPAC2-(4-fluorophenyl)-5-pentoxypyrazine
SMILESCCCCCOc1cnc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C15H17FN2O/c1-2-3-4-9-19-15-11-17-14(10-18-15)12-5-7-13(16)8-6-12/h5-8,10-11H,2-4,9H2,1H3
InChIKeyNZEDFXXVGDSTHI-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.85
Rot. Bonds6

About 2-(4-fluorophenyl)-5-pentoxypyrazine

2-(4-fluorophenyl)-5-pentoxypyrazine (PubChem CID 14122079) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-pentoxypyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-pentoxypyrazine
PubChem CID14122079
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-(4-fluorophenyl)-5-pentoxypyrazine
SMILESCCCCCOc1cnc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C15H17FN2O/c1-2-3-4-9-19-15-11-17-14(10-18-15)12-5-7-13(16)8-6-12/h5-8,10-11H,2-4,9H2,1H3
InChIKeyNZEDFXXVGDSTHI-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-5-pentoxypyrazine 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-fluorophenyl)-5-pentoxypyrazine?
The IUPAC name of 2-(4-fluorophenyl)-5-pentoxypyrazine (CID 14122079) is 2-(4-fluorophenyl)-5-pentoxypyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-pentoxypyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-5-pentoxypyrazine is CCCCCOc1cnc(-c2ccc(F)cc2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-5-pentoxypyrazine?
The InChIKey is NZEDFXXVGDSTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-3-4-9-19-15-11-17-14(10-18-15)12-5-7-13(16)8-6-12/h5-8,10-11H,2-4,9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-pentoxypyrazine?
2-(4-fluorophenyl)-5-pentoxypyrazine has a molecular weight of 260.31 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-pentoxypyrazine is sourced from PubChem (CID 14122079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).