(2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate

C9H8FN3O2 — CID 167435207

IUPAC(2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate
SMILESCC(=O)OCn1ccc2nc(F)cnc21
InChIInChI=1S/C9H8FN3O2/c1-6(14)15-5-13-3-2-7-9(13)11-4-8(10)12-7/h2-4H,5H2,1H3
InChIKeyCFGBHACKKKLUJL-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.09
Rot. Bonds2

About (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate

(2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate (PubChem CID 167435207) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate.

Molecular Properties

Compound Name(2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate
PubChem CID167435207
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name(2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate
SMILESCC(=O)OCn1ccc2nc(F)cnc21
InChIInChI=1S/C9H8FN3O2/c1-6(14)15-5-13-3-2-7-9(13)11-4-8(10)12-7/h2-4H,5H2,1H3
InChIKeyCFGBHACKKKLUJL-UHFFFAOYSA-N
XLogP1.09
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate?
The IUPAC name of (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate (CID 167435207) is (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate.
What is the SMILES notation for (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate?
The canonical SMILES for (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate is CC(=O)OCn1ccc2nc(F)cnc21.
What is the InChIKey of (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate?
The InChIKey is CFGBHACKKKLUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c1-6(14)15-5-13-3-2-7-9(13)11-4-8(10)12-7/h2-4H,5H2,1H3.
What are the key properties of (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate?
(2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate has a molecular weight of 209.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoropyrrolo[2,3-b]pyrazin-5-yl)methyl acetate is sourced from PubChem (CID 167435207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).