ethyl 6-bromo-3-chloropyrazine-2-carboxylate

C7H6BrClN2O2 — CID 130955436

IUPACethyl 6-bromo-3-chloropyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)cnc1Cl
InChIInChI=1S/C7H6BrClN2O2/c1-2-13-7(12)5-6(9)10-3-4(8)11-5/h3H,2H2,1H3
InChIKeyIRKBPZGHGQPMIW-UHFFFAOYSA-N
MW265.49 g/mol
LogP2.07
Rot. Bonds2

About ethyl 6-bromo-3-chloropyrazine-2-carboxylate

ethyl 6-bromo-3-chloropyrazine-2-carboxylate (PubChem CID 130955436) has the molecular formula C7H6BrClN2O2 and a molecular weight of 265.49 g/mol. Its IUPAC name is ethyl 6-bromo-3-chloropyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-3-chloropyrazine-2-carboxylate
PubChem CID130955436
Molecular FormulaC7H6BrClN2O2
Molecular Weight265.49 g/mol
Exact Mass263.93
IUPAC Nameethyl 6-bromo-3-chloropyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(Br)cnc1Cl
InChIInChI=1S/C7H6BrClN2O2/c1-2-13-7(12)5-6(9)10-3-4(8)11-5/h3H,2H2,1H3
InChIKeyIRKBPZGHGQPMIW-UHFFFAOYSA-N
XLogP2.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-chloro-6-iodopyrazine-2-carboxylate
CID 139269907
ethyl 3,5-dichloropyrazine-2-carboxylate
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ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethyl 2-bromo-4-chloropyrimidine-5-carboxylate
CID 131528949
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
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diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 3-bromopyrazine-2-carboxylate
CID 91884522
4,5-dichloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 141464389
ethyl 3-acetamido-6-bromopyridine-2-carboxylate
CID 90044467
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-3-chloropyrazine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-3-chloropyrazine-2-carboxylate (CID 130955436) is ethyl 6-bromo-3-chloropyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-3-chloropyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-3-chloropyrazine-2-carboxylate is CCOC(=O)c1nc(Br)cnc1Cl.
What is the InChIKey of ethyl 6-bromo-3-chloropyrazine-2-carboxylate?
The InChIKey is IRKBPZGHGQPMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClN2O2/c1-2-13-7(12)5-6(9)10-3-4(8)11-5/h3H,2H2,1H3.
What are the key properties of ethyl 6-bromo-3-chloropyrazine-2-carboxylate?
ethyl 6-bromo-3-chloropyrazine-2-carboxylate has a molecular weight of 265.49 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-3-chloropyrazine-2-carboxylate is sourced from PubChem (CID 130955436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).