6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid

C11H7BrClN3O2 — CID 107613331

IUPAC6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C11H7BrClN3O2/c12-7-2-1-6(3-8(7)13)15-10-5-14-4-9(16-10)11(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyBJMAUPPXIJLRJO-UHFFFAOYSA-N
MW328.55 g/mol
LogP3.33
Rot. Bonds3

About 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid

6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid (PubChem CID 107613331) has the molecular formula C11H7BrClN3O2 and a molecular weight of 328.55 g/mol. Its IUPAC name is 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
PubChem CID107613331
Molecular FormulaC11H7BrClN3O2
Molecular Weight328.55 g/mol
Exact Mass326.94
IUPAC Name6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C11H7BrClN3O2/c12-7-2-1-6(3-8(7)13)15-10-5-14-4-9(16-10)11(17)18/h1-5H,(H,15,16)(H,17,18)
InChIKeyBJMAUPPXIJLRJO-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-(3-methylanilino)pyrazine-2-carboxylic acid
CID 66455982
6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
CID 107613303
methyl 6-(3,4-dichloroanilino)pyrazine-2-carboxylate
CID 66457541
6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
CID 66458124
5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
CID 107615648
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122
6-(2,3-dichloroanilino)pyrazine-2-carboxylic acid
CID 66458555
6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid
CID 66456786
6-(2,6-dichloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 66457328
5-bromo-N-(4-bromo-3-chlorophenyl)pyridin-3-amine
CID 107615000
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
4-[(6-chloropyrazin-2-yl)amino]-2-methylbenzoic acid
CID 114335396

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid (CID 107613331) is 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid is O=C(O)c1cncc(Nc2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid?
The InChIKey is BJMAUPPXIJLRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O2/c12-7-2-1-6(3-8(7)13)15-10-5-14-4-9(16-10)11(17)18/h1-5H,(H,15,16)(H,17,18).
What are the key properties of 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid?
6-(4-bromo-3-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 6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107613331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).