5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid

C11H7BrClN3O2 — CID 107372315

IUPAC5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C11H7BrClN3O2/c12-6-1-2-8(7(13)3-6)16-10-5-14-9(4-15-10)11(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyOITHAOQBRAGKTL-UHFFFAOYSA-N
MW328.55 g/mol
LogP3.33
Rot. Bonds3

About 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid

5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid (PubChem CID 107372315) has the molecular formula C11H7BrClN3O2 and a molecular weight of 328.55 g/mol. Its IUPAC name is 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid
PubChem CID107372315
Molecular FormulaC11H7BrClN3O2
Molecular Weight328.55 g/mol
Exact Mass326.94
IUPAC Name5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C11H7BrClN3O2/c12-6-1-2-8(7(13)3-6)16-10-5-14-9(4-15-10)11(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyOITHAOQBRAGKTL-UHFFFAOYSA-N
XLogP3.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 43347442
5-(2,4-dichloroanilino)-N,N-diethylpyrazine-2-carboxamide
CID 109286836
5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
CID 107372598
5-(2-chloro-6-methylanilino)pyrazine-2-carboxylic acid
CID 107372478
5-(3-bromo-4-iodoanilino)pyrazine-2-carboxylic acid
CID 114262227
[5-(2,4-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275168
4-N-(4-bromo-2-chlorophenyl)pyrimidine-4,6-diamine
CID 80772607
5-(5-bromo-2-chlorobenzoyl)oxypyrazine-2-carboxylic acid
CID 173277634
N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107373971
5-(4-bromo-2-methylanilino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272110
N-(4-bromo-2-chlorophenyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922117
[5-(4-bromo-2-methylanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288760

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid (CID 107372315) is 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid is O=C(O)c1cnc(Nc2ccc(Br)cc2Cl)cn1.
What is the InChIKey of 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid?
The InChIKey is OITHAOQBRAGKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O2/c12-6-1-2-8(7(13)3-6)16-10-5-14-9(4-15-10)11(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid?
5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid has a molecular weight of 328.55 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).