2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine

C11H7ClF2N2O — CID 66466210

IUPAC2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine
SMILESFc1cccc(Oc2cncc(CCl)n2)c1F
InChIInChI=1S/C11H7ClF2N2O/c12-4-7-5-15-6-10(16-7)17-9-3-1-2-8(13)11(9)14/h1-3,5-6H,4H2
InChIKeyWHUCVVNRHSJDSO-UHFFFAOYSA-N
MW256.64 g/mol
LogP3.29
Rot. Bonds3

About 2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine

2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine (PubChem CID 66466210) has the molecular formula C11H7ClF2N2O and a molecular weight of 256.64 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine
PubChem CID66466210
Molecular FormulaC11H7ClF2N2O
Molecular Weight256.64 g/mol
Exact Mass256.02
IUPAC Name2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine
SMILESFc1cccc(Oc2cncc(CCl)n2)c1F
InChIInChI=1S/C11H7ClF2N2O/c12-4-7-5-15-6-10(16-7)17-9-3-1-2-8(13)11(9)14/h1-3,5-6H,4H2
InChIKeyWHUCVVNRHSJDSO-UHFFFAOYSA-N
XLogP3.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-(2,3-difluorophenoxy)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-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine?
The IUPAC name of 2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine (CID 66466210) is 2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine is Fc1cccc(Oc2cncc(CCl)n2)c1F.
What is the InChIKey of 2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine?
The InChIKey is WHUCVVNRHSJDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2N2O/c12-4-7-5-15-6-10(16-7)17-9-3-1-2-8(13)11(9)14/h1-3,5-6H,4H2.
What are the key properties of 2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine?
2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine has a molecular weight of 256.64 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine is sourced from PubChem (CID 66466210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).