3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid

C11H6BrFN2O3 — CID 81326017

IUPAC3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C11H6BrFN2O3/c12-6-3-7(13)5-8(4-6)18-10-9(11(16)17)14-1-2-15-10/h1-5H,(H,16,17)
InChIKeyUIPILLYJQQYGKT-UHFFFAOYSA-N
MW313.08 g/mol
LogP2.87
Rot. Bonds3

About 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid

3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid (PubChem CID 81326017) has the molecular formula C11H6BrFN2O3 and a molecular weight of 313.08 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid
PubChem CID81326017
Molecular FormulaC11H6BrFN2O3
Molecular Weight313.08 g/mol
Exact Mass311.95
IUPAC Name3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C11H6BrFN2O3/c12-6-3-7(13)5-8(4-6)18-10-9(11(16)17)14-1-2-15-10/h1-5H,(H,16,17)
InChIKeyUIPILLYJQQYGKT-UHFFFAOYSA-N
XLogP2.87
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.08
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-bromo-5-fluorophenoxy)pyrazine-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-(3,5-dimethoxyphenoxy)pyrazine-2-carboxylic acid
CID 62701536
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carbonitrile
CID 81332179
3-[(3-bromo-5-fluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 81325707
3-(3-bromo-5-fluorophenoxy)-1H-pyrazin-2-one
CID 114570741
2-(3-bromo-5-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 81331677
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367
2-(3-bromo-5-fluorophenoxy)pyridin-3-amine
CID 81322525
3-(3,4-dimethylphenoxy)pyrazine-2-carboxylic acid
CID 62701378
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991
2-(3-bromo-5-fluorophenoxy)pyrazine
CID 81331552
5-bromo-1-(3-bromo-5-fluorophenoxy)isoquinoline
CID 106536992
3-[(3-bromo-5-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262243

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid (CID 81326017) is 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid?
The InChIKey is UIPILLYJQQYGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2O3/c12-6-3-7(13)5-8(4-6)18-10-9(11(16)17)14-1-2-15-10/h1-5H,(H,16,17).
What are the key properties of 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid?
3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid has a molecular weight of 313.08 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 81326017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).