5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid

C18H10Br2N2O4 — CID 132588495

IUPAC5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
SMILESO=C(O)c1nc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)nc1C(=O)O
InChIInChI=1S/C18H10Br2N2O4/c19-11-5-1-3-9(7-11)13-14(10-4-2-6-12(20)8-10)22-16(18(25)26)15(21-13)17(23)24/h1-8H,(H,23,24)(H,25,26)
InChIKeyBOPMZHHAWASEIY-UHFFFAOYSA-N
MW478.10 g/mol
LogP4.73
Rot. Bonds4

About 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid

5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid (PubChem CID 132588495) has the molecular formula C18H10Br2N2O4 and a molecular weight of 478.10 g/mol. Its IUPAC name is 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
PubChem CID132588495
Molecular FormulaC18H10Br2N2O4
Molecular Weight478.10 g/mol
Exact Mass475.90
IUPAC Name5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid
SMILESO=C(O)c1nc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)nc1C(=O)O
InChIInChI=1S/C18H10Br2N2O4/c19-11-5-1-3-9(7-11)13-14(10-4-2-6-12(20)8-10)22-16(18(25)26)15(21-13)17(23)24/h1-8H,(H,23,24)(H,25,26)
InChIKeyBOPMZHHAWASEIY-UHFFFAOYSA-N
XLogP4.73
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.10
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284
2-amino-4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
CID 82489405
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
4-(3-bromophenyl)thiadiazole-5-carboxylic acid
CID 65207487
4-(3-bromophenyl)-1H-imidazole-5-carboxylic acid
CID 82304699
4-bromo-3-(3-bromophenyl)-1H-pyrazole-5-carboxylic acid
CID 45496321
4-(3-bromophenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 117224766
3-(3-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
CID 82489335
2-[3-(3-bromophenyl)-1,2-oxazol-4-yl]acetic acid
CID 82307329
6-(3-bromophenyl)-2-methylpyridine-3-carboxylic acid
CID 7131628
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354729

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid?
The IUPAC name of 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid (CID 132588495) is 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid.
What is the SMILES notation for 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid?
The canonical SMILES for 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid is O=C(O)c1nc(-c2cccc(Br)c2)c(-c2cccc(Br)c2)nc1C(=O)O.
What is the InChIKey of 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid?
The InChIKey is BOPMZHHAWASEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2N2O4/c19-11-5-1-3-9(7-11)13-14(10-4-2-6-12(20)8-10)22-16(18(25)26)15(21-13)17(23)24/h1-8H,(H,23,24)(H,25,26).
What are the key properties of 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid?
5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid has a molecular weight of 478.10 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(3-bromophenyl)pyrazine-2,3-dicarboxylic acid is sourced from PubChem (CID 132588495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).