2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine

C12H10Cl2N2O — CID 66466430

IUPAC2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine
SMILESCc1cc(Cl)ccc1Oc1cncc(CCl)n1
InChIInChI=1S/C12H10Cl2N2O/c1-8-4-9(14)2-3-11(8)17-12-7-15-6-10(5-13)16-12/h2-4,6-7H,5H2,1H3
InChIKeyBUYDDPZUNZRNBU-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.97
Rot. Bonds3

About 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine

2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine (PubChem CID 66466430) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine
PubChem CID66466430
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine
SMILESCc1cc(Cl)ccc1Oc1cncc(CCl)n1
InChIInChI=1S/C12H10Cl2N2O/c1-8-4-9(14)2-3-11(8)17-12-7-15-6-10(5-13)16-12/h2-4,6-7H,5H2,1H3
InChIKeyBUYDDPZUNZRNBU-UHFFFAOYSA-N
XLogP3.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-2-methylphenoxy)-6-(chloromethyl)pyrazine
CID 66467805
2-(chloromethyl)-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrazine
CID 103175405
2-(chloromethyl)-6-(4-methylphenoxy)pyrazine
CID 66466203
[6-(2,5-dichlorophenoxy)pyrazin-2-yl]methanamine
CID 66451005
4-chloro-6-(4-chloro-2-methylphenoxy)-2-ethylpyrimidine
CID 80944599
2-(chloromethyl)-6-(2,3-difluorophenoxy)pyrazine
CID 66466210
N-[[6-(2,4-dichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 66450434
2-(4-chloro-3-fluorophenoxy)-6-(chloromethyl)pyrazine
CID 82716672
2-(chloromethyl)-6-[(6-methyl-3-pyridinyl)oxy]pyrazine
CID 66465754
8-[6-(chloromethyl)pyrazin-2-yl]oxyquinoline
CID 66466889
N-[[6-(4-bromo-2-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 66467274
6-(4-chloro-2-methylphenoxy)-4-methylpyridin-3-amine
CID 18419480

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine?
The IUPAC name of 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine (CID 66466430) is 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine.
What is the SMILES notation for 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine?
The canonical SMILES for 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine is Cc1cc(Cl)ccc1Oc1cncc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine?
The InChIKey is BUYDDPZUNZRNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-8-4-9(14)2-3-11(8)17-12-7-15-6-10(5-13)16-12/h2-4,6-7H,5H2,1H3.
What are the key properties of 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine?
2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine has a molecular weight of 269.13 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(4-chloro-2-methylphenoxy)pyrazine is sourced from PubChem (CID 66466430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).