ethyl 3-bromopyrazine-2-carboxylate

C7H7BrN2O2 — CID 91884522

IUPACethyl 3-bromopyrazine-2-carboxylate
SMILESCCOC(=O)c1nccnc1Br
InChIInChI=1S/C7H7BrN2O2/c1-2-12-7(11)5-6(8)10-4-3-9-5/h3-4H,2H2,1H3
InChIKeyJTZJUXFPUFUYLD-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.42
Rot. Bonds2

About ethyl 3-bromopyrazine-2-carboxylate

ethyl 3-bromopyrazine-2-carboxylate (PubChem CID 91884522) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is ethyl 3-bromopyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromopyrazine-2-carboxylate
PubChem CID91884522
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Nameethyl 3-bromopyrazine-2-carboxylate
SMILESCCOC(=O)c1nccnc1Br
InChIInChI=1S/C7H7BrN2O2/c1-2-12-7(11)5-6(8)10-4-3-9-5/h3-4H,2H2,1H3
InChIKeyJTZJUXFPUFUYLD-UHFFFAOYSA-N
XLogP1.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-bromopyridine-3,4-dicarboxylate
CID 163204042
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl 2-bromo-4-methoxypyridine-3-carboxylate
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1-(3-bromopyrazin-2-yl)ethanone
CID 154466842
ethyl 3-[(5-bromothiophen-2-yl)methylamino]pyrazine-2-carboxylate
CID 67086610
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
ethyl 2-bromo-4-propan-2-ylpyridine-3-carboxylate
CID 129451473
ethyl 2-bromo-7-hydroxythieno[3,2-c]pyridine-6-carboxylate
CID 67233406
ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
CID 76847175
ethyl 4-bromo-5-ethoxy-1-methylpyrazole-3-carboxylate
CID 164538576
ethyl 6-bromo-3-chloropyrazine-2-carboxylate
CID 130955436

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromopyrazine-2-carboxylate?
The IUPAC name of ethyl 3-bromopyrazine-2-carboxylate (CID 91884522) is ethyl 3-bromopyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-bromopyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-bromopyrazine-2-carboxylate is CCOC(=O)c1nccnc1Br.
What is the InChIKey of ethyl 3-bromopyrazine-2-carboxylate?
The InChIKey is JTZJUXFPUFUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c1-2-12-7(11)5-6(8)10-4-3-9-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 3-bromopyrazine-2-carboxylate?
ethyl 3-bromopyrazine-2-carboxylate has a molecular weight of 231.05 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromopyrazine-2-carboxylate is sourced from PubChem (CID 91884522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).