2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine

C12H10BrClN2O — CID 107373728

IUPAC2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine
SMILESCc1ccc(Oc2cnc(CCl)cn2)c(Br)c1
InChIInChI=1S/C12H10BrClN2O/c1-8-2-3-11(10(13)4-8)17-12-7-15-9(5-14)6-16-12/h2-4,6-7H,5H2,1H3
InChIKeyYXUDWRFCRFRBNI-UHFFFAOYSA-N
MW313.58 g/mol
LogP4.08
Rot. Bonds3

About 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine

2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine (PubChem CID 107373728) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine
PubChem CID107373728
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine
SMILESCc1ccc(Oc2cnc(CCl)cn2)c(Br)c1
InChIInChI=1S/C12H10BrClN2O/c1-8-2-3-11(10(13)4-8)17-12-7-15-9(5-14)6-16-12/h2-4,6-7H,5H2,1H3
InChIKeyYXUDWRFCRFRBNI-UHFFFAOYSA-N
XLogP4.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine (CID 107373728) is 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine is Cc1ccc(Oc2cnc(CCl)cn2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine?
The InChIKey is YXUDWRFCRFRBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c1-8-2-3-11(10(13)4-8)17-12-7-15-9(5-14)6-16-12/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine?
2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine has a molecular weight of 313.58 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-5-(chloromethyl)pyrazine is sourced from PubChem (CID 107373728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).