(5-fluoropyrazin-2-yl)methyl propanoate

C8H9FN2O2 — CID 23462028

IUPAC(5-fluoropyrazin-2-yl)methyl propanoate
SMILESCCC(=O)OCc1cnc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-2-8(12)13-5-6-3-11-7(9)4-10-6/h3-4H,2,5H2,1H3
InChIKeyQURQHCKDFAYFCJ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.07
Rot. Bonds3

About (5-fluoropyrazin-2-yl)methyl propanoate

(5-fluoropyrazin-2-yl)methyl propanoate (PubChem CID 23462028) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (5-fluoropyrazin-2-yl)methyl propanoate.

Molecular Properties

Compound Name(5-fluoropyrazin-2-yl)methyl propanoate
PubChem CID23462028
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(5-fluoropyrazin-2-yl)methyl propanoate
SMILESCCC(=O)OCc1cnc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-2-8(12)13-5-6-3-11-7(9)4-10-6/h3-4H,2,5H2,1H3
InChIKeyQURQHCKDFAYFCJ-UHFFFAOYSA-N
XLogP1.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoropyrazin-2-yl)methyl propanoate?
The IUPAC name of (5-fluoropyrazin-2-yl)methyl propanoate (CID 23462028) is (5-fluoropyrazin-2-yl)methyl propanoate.
What is the SMILES notation for (5-fluoropyrazin-2-yl)methyl propanoate?
The canonical SMILES for (5-fluoropyrazin-2-yl)methyl propanoate is CCC(=O)OCc1cnc(F)cn1.
What is the InChIKey of (5-fluoropyrazin-2-yl)methyl propanoate?
The InChIKey is QURQHCKDFAYFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-2-8(12)13-5-6-3-11-7(9)4-10-6/h3-4H,2,5H2,1H3.
What are the key properties of (5-fluoropyrazin-2-yl)methyl propanoate?
(5-fluoropyrazin-2-yl)methyl propanoate has a molecular weight of 184.17 g/mol, XLogP of 1.07, 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 propanoate is sourced from PubChem (CID 23462028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).