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

C13H11BrN2O3 — CID 118113438

IUPAC2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine
SMILESBrc1ccc(Oc2cnc(C3OCCO3)cn2)cc1
InChIInChI=1S/C13H11BrN2O3/c14-9-1-3-10(4-2-9)19-12-8-15-11(7-16-12)13-17-5-6-18-13/h1-4,7-8,13H,5-6H2
InChIKeyQBPQEMVXUDDMAI-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.08
Rot. Bonds3

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

2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine (PubChem CID 118113438) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine
PubChem CID118113438
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine
SMILESBrc1ccc(Oc2cnc(C3OCCO3)cn2)cc1
InChIInChI=1S/C13H11BrN2O3/c14-9-1-3-10(4-2-9)19-12-8-15-11(7-16-12)13-17-5-6-18-13/h1-4,7-8,13H,5-6H2
InChIKeyQBPQEMVXUDDMAI-UHFFFAOYSA-N
XLogP3.08
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine?
The IUPAC name of 2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine (CID 118113438) is 2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine.
What is the SMILES notation for 2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine?
The canonical SMILES for 2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine is Brc1ccc(Oc2cnc(C3OCCO3)cn2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine?
The InChIKey is QBPQEMVXUDDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c14-9-1-3-10(4-2-9)19-12-8-15-11(7-16-12)13-17-5-6-18-13/h1-4,7-8,13H,5-6H2.
What are the key properties of 2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine?
2-(4-bromophenoxy)-5-(1,3-dioxolan-2-yl)pyrazine has a molecular weight of 323.15 g/mol, XLogP of 3.08, 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-dioxolan-2-yl)pyrazine is sourced from PubChem (CID 118113438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).