fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate

C15H8FN3O2 — CID 153350480

IUPACfluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate
SMILESN#Cc1cccc(-c2cn3cccc3c(C(=O)OF)n2)c1
InChIInChI=1S/C15H8FN3O2/c16-21-15(20)14-13-5-2-6-19(13)9-12(18-14)11-4-1-3-10(7-11)8-17/h1-7,9H
InChIKeyRLARIRUVKASJSR-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.91
Rot. Bonds2

About fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate

fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate (PubChem CID 153350480) has the molecular formula C15H8FN3O2 and a molecular weight of 281.25 g/mol. Its IUPAC name is fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate.

Molecular Properties

Compound Namefluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate
PubChem CID153350480
Molecular FormulaC15H8FN3O2
Molecular Weight281.25 g/mol
Exact Mass281.06
IUPAC Namefluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate
SMILESN#Cc1cccc(-c2cn3cccc3c(C(=O)OF)n2)c1
InChIInChI=1S/C15H8FN3O2/c16-21-15(20)14-13-5-2-6-19(13)9-12(18-14)11-4-1-3-10(7-11)8-17/h1-7,9H
InChIKeyRLARIRUVKASJSR-UHFFFAOYSA-N
XLogP2.91
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate?
The IUPAC name of fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate (CID 153350480) is fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate.
What is the SMILES notation for fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate?
The canonical SMILES for fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate is N#Cc1cccc(-c2cn3cccc3c(C(=O)OF)n2)c1.
What is the InChIKey of fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate?
The InChIKey is RLARIRUVKASJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3O2/c16-21-15(20)14-13-5-2-6-19(13)9-12(18-14)11-4-1-3-10(7-11)8-17/h1-7,9H.
What are the key properties of fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate?
fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate has a molecular weight of 281.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate is sourced from PubChem (CID 153350480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).