propyl 5-fluoropyrazine-2-carboxylate

C8H9FN2O2 — CID 44586030

IUPACpropyl 5-fluoropyrazine-2-carboxylate
SMILESCCCOC(=O)c1cnc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-2-3-13-8(12)6-4-11-7(9)5-10-6/h4-5H,2-3H2,1H3
InChIKeyOLVYRVCPBQYMJK-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.18
Rot. Bonds3

About propyl 5-fluoropyrazine-2-carboxylate

propyl 5-fluoropyrazine-2-carboxylate (PubChem CID 44586030) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is propyl 5-fluoropyrazine-2-carboxylate.

Molecular Properties

Compound Namepropyl 5-fluoropyrazine-2-carboxylate
PubChem CID44586030
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namepropyl 5-fluoropyrazine-2-carboxylate
SMILESCCCOC(=O)c1cnc(F)cn1
InChIInChI=1S/C8H9FN2O2/c1-2-3-13-8(12)6-4-11-7(9)5-10-6/h4-5H,2-3H2,1H3
InChIKeyOLVYRVCPBQYMJK-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 5-fluoropyrazine-2-carboxylate?
The IUPAC name of propyl 5-fluoropyrazine-2-carboxylate (CID 44586030) is propyl 5-fluoropyrazine-2-carboxylate.
What is the SMILES notation for propyl 5-fluoropyrazine-2-carboxylate?
The canonical SMILES for propyl 5-fluoropyrazine-2-carboxylate is CCCOC(=O)c1cnc(F)cn1.
What is the InChIKey of propyl 5-fluoropyrazine-2-carboxylate?
The InChIKey is OLVYRVCPBQYMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-2-3-13-8(12)6-4-11-7(9)5-10-6/h4-5H,2-3H2,1H3.
What are the key properties of propyl 5-fluoropyrazine-2-carboxylate?
propyl 5-fluoropyrazine-2-carboxylate has a molecular weight of 184.17 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-fluoropyrazine-2-carboxylate is sourced from PubChem (CID 44586030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).