2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine

C11H7Cl3N2O — CID 103054818

IUPAC2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine
SMILESClc1cnc(COc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C11H7Cl3N2O/c12-8-2-1-3-9(13)11(8)17-6-7-4-16-10(14)5-15-7/h1-5H,6H2
InChIKeyVDPZJWNZFXXVQB-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine

2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine (PubChem CID 103054818) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine
PubChem CID103054818
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine
SMILESClc1cnc(COc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C11H7Cl3N2O/c12-8-2-1-3-9(13)11(8)17-6-7-4-16-10(14)5-15-7/h1-5H,6H2
InChIKeyVDPZJWNZFXXVQB-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.55
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine (CID 103054818) is 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine is Clc1cnc(COc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine?
The InChIKey is VDPZJWNZFXXVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c12-8-2-1-3-9(13)11(8)17-6-7-4-16-10(14)5-15-7/h1-5H,6H2.
What are the key properties of 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine?
2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine has a molecular weight of 289.55 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine is sourced from PubChem (CID 103054818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).