5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid

C12H6BrClN2O4 — CID 173277634

IUPAC5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OC(=O)c2cc(Br)ccc2Cl)cn1
InChIInChI=1S/C12H6BrClN2O4/c13-6-1-2-8(14)7(3-6)12(19)20-10-5-15-9(4-16-10)11(17)18/h1-5H,(H,17,18)
InChIKeySBQMSJMRFQCSQX-UHFFFAOYSA-N
MW357.55 g/mol
LogP2.81
Rot. Bonds3

About 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid

5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid (PubChem CID 173277634) has the molecular formula C12H6BrClN2O4 and a molecular weight of 357.55 g/mol. Its IUPAC name is 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid
PubChem CID173277634
Molecular FormulaC12H6BrClN2O4
Molecular Weight357.55 g/mol
Exact Mass355.92
IUPAC Name5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OC(=O)c2cc(Br)ccc2Cl)cn1
InChIInChI=1S/C12H6BrClN2O4/c13-6-1-2-8(14)7(3-6)12(19)20-10-5-15-9(4-16-10)11(17)18/h1-5H,(H,17,18)
InChIKeySBQMSJMRFQCSQX-UHFFFAOYSA-N
XLogP2.81
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-bromo-2-propan-2-ylphenoxy)pyrazine-2-carboxylic acid
CID 115402897
5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid
CID 107372315
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
naphthalen-2-yl 5-bromo-2-chlorobenzoate
CID 7926818
(4-methoxycarbonylphenyl) 5-bromo-2-chlorobenzoate
CID 7956906
4-(5-bromo-2-chlorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 81225762
naphthalen-1-yl 5-bromo-2-chlorobenzoate
CID 2370407
5-methoxypyrazine-2-carboxylic acid;hydrochloride
CID 121268158
(4-bromo-2-chlorophenyl) 2-fluorobenzoate
CID 23011823
5-[(4-chlorophenyl)-(2,4-dichlorophenyl)methoxy]pyrazine-2-carboxylic acid
CID 142720957
(4-bromo-2-chlorophenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012046
2-(5-bromo-2-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 114034139

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid?
The IUPAC name of 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid (CID 173277634) is 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid?
The canonical SMILES for 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid is O=C(O)c1cnc(OC(=O)c2cc(Br)ccc2Cl)cn1.
What is the InChIKey of 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid?
The InChIKey is SBQMSJMRFQCSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O4/c13-6-1-2-8(14)7(3-6)12(19)20-10-5-15-9(4-16-10)11(17)18/h1-5H,(H,17,18).
What are the key properties of 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid?
5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid has a molecular weight of 357.55 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid is sourced from PubChem (CID 173277634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).