[5-(fluoromethyl)pyrazin-2-yl]methyl formate

C7H7FN2O2 — CID 174810367

IUPAC[5-(fluoromethyl)pyrazin-2-yl]methyl formate
SMILESO=COCc1cnc(CF)cn1
InChIInChI=1S/C7H7FN2O2/c8-1-6-2-10-7(3-9-6)4-12-5-11/h2-3,5H,1,4H2
InChIKeyBFSTVYLXKNLLKJ-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.62
Rot. Bonds4

About [5-(fluoromethyl)pyrazin-2-yl]methyl formate

[5-(fluoromethyl)pyrazin-2-yl]methyl formate (PubChem CID 174810367) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is [5-(fluoromethyl)pyrazin-2-yl]methyl formate.

Molecular Properties

Compound Name[5-(fluoromethyl)pyrazin-2-yl]methyl formate
PubChem CID174810367
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name[5-(fluoromethyl)pyrazin-2-yl]methyl formate
SMILESO=COCc1cnc(CF)cn1
InChIInChI=1S/C7H7FN2O2/c8-1-6-2-10-7(3-9-6)4-12-5-11/h2-3,5H,1,4H2
InChIKeyBFSTVYLXKNLLKJ-UHFFFAOYSA-N
XLogP0.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-(fluoromethyl)pyrazin-2-yl]methyl formate 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 [5-(fluoromethyl)pyrazin-2-yl]methyl formate?
The IUPAC name of [5-(fluoromethyl)pyrazin-2-yl]methyl formate (CID 174810367) is [5-(fluoromethyl)pyrazin-2-yl]methyl formate.
What is the SMILES notation for [5-(fluoromethyl)pyrazin-2-yl]methyl formate?
The canonical SMILES for [5-(fluoromethyl)pyrazin-2-yl]methyl formate is O=COCc1cnc(CF)cn1.
What is the InChIKey of [5-(fluoromethyl)pyrazin-2-yl]methyl formate?
The InChIKey is BFSTVYLXKNLLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c8-1-6-2-10-7(3-9-6)4-12-5-11/h2-3,5H,1,4H2.
What are the key properties of [5-(fluoromethyl)pyrazin-2-yl]methyl formate?
[5-(fluoromethyl)pyrazin-2-yl]methyl formate has a molecular weight of 170.14 g/mol, XLogP of 0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(fluoromethyl)pyrazin-2-yl]methyl formate is sourced from PubChem (CID 174810367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).