3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid

C11H7BrN2O2S — CID 62701775

IUPAC3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C11H7BrN2O2S/c12-7-1-3-8(4-2-7)17-10-9(11(15)16)13-5-6-14-10/h1-6H,(H,15,16)
InChIKeyFOJNNYNGFZTCFC-UHFFFAOYSA-N
MW311.16 g/mol
LogP3.09
Rot. Bonds3

About 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid

3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid (PubChem CID 62701775) has the molecular formula C11H7BrN2O2S and a molecular weight of 311.16 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid
PubChem CID62701775
Molecular FormulaC11H7BrN2O2S
Molecular Weight311.16 g/mol
Exact Mass309.94
IUPAC Name3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1ccc(Br)cc1
InChIInChI=1S/C11H7BrN2O2S/c12-7-1-3-8(4-2-7)17-10-9(11(15)16)13-5-6-14-10/h1-6H,(H,15,16)
InChIKeyFOJNNYNGFZTCFC-UHFFFAOYSA-N
XLogP3.09
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenylsulfanylpyrazine-2-carboxylic acid
CID 12556842
[3-(4-bromophenyl)sulfanylpyrazin-2-yl]methanamine
CID 62685365
4-[(3-bromo-2-pyridinyl)sulfanyl]benzoic acid
CID 61373158
4-(4-bromophenyl)sulfanylquinazoline-2-carboxylic acid
CID 62406737
3-quinazolin-4-ylsulfanylpyrazine-2-carboxylic acid
CID 62700957
3-phenylsulfanyl-N-pyridin-4-ylpyrazine-2-carboxamide
CID 154800744
palladium;pyrazine-2,3-dicarboxylic acid
CID 174785540
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 104604147
3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrazine-2-carboxylic acid
CID 106926061
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
2,3-bis(phenylsulfanyl)pyrazine
CID 86197506
N'-hydroxy-3-phenylsulfanylpyrazine-2-carboximidamide
CID 172625571

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid?
The IUPAC name of 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid (CID 62701775) is 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid is O=C(O)c1nccnc1Sc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid?
The InChIKey is FOJNNYNGFZTCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2S/c12-7-1-3-8(4-2-7)17-10-9(11(15)16)13-5-6-14-10/h1-6H,(H,15,16).
What are the key properties of 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid?
3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid has a molecular weight of 311.16 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanylpyrazine-2-carboxylic acid is sourced from PubChem (CID 62701775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).