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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Related Compounds

2-(3-cyanophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 63991934
3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 122476393
ethyl 3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrrolo[1,2-a]pyrazine-1-carboxylate
CID 139561916
ethyl 2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylate
CID 131988139
2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131988138
3-[6-[3-(2-fluoro-2-hydroxyethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 70869874
[2-(3-fluorophenyl)imidazo[1,2-a]pyridin-8-yl] carbamate
CID 69371614
3-(1H-pyrazol-4-yl)benzonitrile;2,2,2-trifluoroacetic acid
CID 66597404
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
CID 46835564
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile
CID 107646385

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).