5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid

C12H9Br2N3O3 — CID 107372598

IUPAC5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
SMILESCOc1cc(Nc2cnc(C(=O)O)cn2)c(Br)cc1Br
InChIInChI=1S/C12H9Br2N3O3/c1-20-10-3-8(6(13)2-7(10)14)17-11-5-15-9(4-16-11)12(18)19/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyPWMQRWGOKGAESG-UHFFFAOYSA-N
MW403.03 g/mol
LogP3.45
Rot. Bonds4

About 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid

5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid (PubChem CID 107372598) has the molecular formula C12H9Br2N3O3 and a molecular weight of 403.03 g/mol. Its IUPAC name is 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
PubChem CID107372598
Molecular FormulaC12H9Br2N3O3
Molecular Weight403.03 g/mol
Exact Mass400.90
IUPAC Name5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid
SMILESCOc1cc(Nc2cnc(C(=O)O)cn2)c(Br)cc1Br
InChIInChI=1S/C12H9Br2N3O3/c1-20-10-3-8(6(13)2-7(10)14)17-11-5-15-9(4-16-11)12(18)19/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyPWMQRWGOKGAESG-UHFFFAOYSA-N
XLogP3.45
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.03
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414782
4-(2,4-dibromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 103414759
5-(4-bromo-2-chloroanilino)pyrazine-2-carboxylic acid
CID 107372315
5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468716
2-N-(2,4-dibromo-5-methoxyphenyl)-6-N-methylpyrazine-2,6-diamine
CID 103417153
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
5-(3-bromo-4-iodoanilino)pyrazine-2-carboxylic acid
CID 114262227
5-(4-bromo-3-methoxyanilino)pyrazine-2-carbothioamide
CID 82868325
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160
4-N-(2,4-dibromo-5-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 103417170
6-bromo-N-(2,4-dibromo-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 103416320
5-(5-chloro-2-methoxyanilino)-N-phenylpyrazine-2-carboxamide
CID 109289456

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid (CID 107372598) is 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid is COc1cc(Nc2cnc(C(=O)O)cn2)c(Br)cc1Br.
What is the InChIKey of 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid?
The InChIKey is PWMQRWGOKGAESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O3/c1-20-10-3-8(6(13)2-7(10)14)17-11-5-15-9(4-16-11)12(18)19/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid?
5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid has a molecular weight of 403.03 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dibromo-5-methoxyanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).