2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine

C13H9BrN2O3 — CID 141389025

IUPAC2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine
SMILESBrc1ccc(Oc2cnc(C3OC=CO3)cn2)cc1
InChIInChI=1S/C13H9BrN2O3/c14-9-1-3-10(4-2-9)19-12-8-15-11(7-16-12)13-17-5-6-18-13/h1-8,13H
InChIKeyRAUNYGOCDKLLJB-UHFFFAOYSA-N
MW321.13 g/mol
LogP3.55
Rot. Bonds3

About 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine

2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine (PubChem CID 141389025) has the molecular formula C13H9BrN2O3 and a molecular weight of 321.13 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine
PubChem CID141389025
Molecular FormulaC13H9BrN2O3
Molecular Weight321.13 g/mol
Exact Mass319.98
IUPAC Name2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine
SMILESBrc1ccc(Oc2cnc(C3OC=CO3)cn2)cc1
InChIInChI=1S/C13H9BrN2O3/c14-9-1-3-10(4-2-9)19-12-8-15-11(7-16-12)13-17-5-6-18-13/h1-8,13H
InChIKeyRAUNYGOCDKLLJB-UHFFFAOYSA-N
XLogP3.55
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Bromophenoxy)ethyl pyrazine-2-carboxylate
CID 2111673
2-(4-Bromophenoxy)pyrazine
CID 24691326
2-(4-Bromophenoxy)ethyl 5-methylpyrazine-2-carboxylate
CID 2407277
2-Methyl-3-phenoxypyrazine
CID 522970
5-[2-(2-Bromo-5-fluorophenoxy)ethoxy]pyrazine-2-carbonitrile
CID 68595182
2-[[(3aS,4R,7S,7aR)-4-[(4-bromo-3-fluorophenoxy)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy]-6-(trifluoromethyl)pyrazine
CID 171556604
3-(4-Bromo-2-fluorophenoxy)pyrazine-2-carbonitrile
CID 60620346
3-(2-Bromo-4-fluorophenoxy)-2,5-dimethylpyrazine
CID 60645287
[3-(2-Bromo-4-fluorophenoxy)pyrazin-2-yl]methanamine
CID 62672373
3-(2-Bromo-4-fluorophenoxy)pyrazine-2-carbonitrile
CID 62672509
[3-(4-Bromo-2-fluorophenoxy)pyrazin-2-yl]methanamine
CID 62683995
3-(4-Bromo-2-fluorophenoxy)pyrazine-2-carbothioamide
CID 62684639

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine?
The IUPAC name of 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine (CID 141389025) is 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine.
What is the SMILES notation for 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine?
The canonical SMILES for 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine is Brc1ccc(Oc2cnc(C3OC=CO3)cn2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine?
The InChIKey is RAUNYGOCDKLLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O3/c14-9-1-3-10(4-2-9)19-12-8-15-11(7-16-12)13-17-5-6-18-13/h1-8,13H.
What are the key properties of 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine?
2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine has a molecular weight of 321.13 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-5-(1,3-dioxol-2-yl)pyrazine is sourced from PubChem (CID 141389025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).