(5-fluoropyrazin-2-yl)methyl prop-2-enoate

C8H7FN2O2 — CID 23462044

IUPAC(5-fluoropyrazin-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1cnc(F)cn1
InChIInChI=1S/C8H7FN2O2/c1-2-8(12)13-5-6-3-11-7(9)4-10-6/h2-4H,1,5H2
InChIKeyCRJWWPUHUOQLTN-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.84
Rot. Bonds3

About (5-fluoropyrazin-2-yl)methyl prop-2-enoate

(5-fluoropyrazin-2-yl)methyl prop-2-enoate (PubChem CID 23462044) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is (5-fluoropyrazin-2-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(5-fluoropyrazin-2-yl)methyl prop-2-enoate
PubChem CID23462044
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name(5-fluoropyrazin-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1cnc(F)cn1
InChIInChI=1S/C8H7FN2O2/c1-2-8(12)13-5-6-3-11-7(9)4-10-6/h2-4H,1,5H2
InChIKeyCRJWWPUHUOQLTN-UHFFFAOYSA-N
XLogP0.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 81341
CID 81341
CID 72507
CID 72507
CID 122708
CID 122708
CID 122709
CID 122709
CID 122711
CID 122711
CID 465060
CID 465060
CID 122710
CID 122710
CID 44586030
CID 44586030
CID 465066
CID 465066
CID 124706138
CID 124706138
CID 14532641
CID 14532641
CID 12933345
CID 12933345

Frequently Asked Questions

What is the IUPAC name of (5-fluoropyrazin-2-yl)methyl prop-2-enoate?
The IUPAC name of (5-fluoropyrazin-2-yl)methyl prop-2-enoate (CID 23462044) is (5-fluoropyrazin-2-yl)methyl prop-2-enoate.
What is the SMILES notation for (5-fluoropyrazin-2-yl)methyl prop-2-enoate?
The canonical SMILES for (5-fluoropyrazin-2-yl)methyl prop-2-enoate is C=CC(=O)OCc1cnc(F)cn1.
What is the InChIKey of (5-fluoropyrazin-2-yl)methyl prop-2-enoate?
The InChIKey is CRJWWPUHUOQLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-2-8(12)13-5-6-3-11-7(9)4-10-6/h2-4H,1,5H2.
What are the key properties of (5-fluoropyrazin-2-yl)methyl prop-2-enoate?
(5-fluoropyrazin-2-yl)methyl prop-2-enoate has a molecular weight of 182.15 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoropyrazin-2-yl)methyl prop-2-enoate is sourced from PubChem (CID 23462044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).