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

C11H7Cl3N2O — CID 103054688

IUPAC2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
SMILESClc1ccc(Cl)c(OCc2cnc(Cl)cn2)c1
InChIInChI=1S/C11H7Cl3N2O/c12-7-1-2-9(13)10(3-7)17-6-8-4-16-11(14)5-15-8/h1-5H,6H2
InChIKeyDDGHGAMPSFMMIR-UHFFFAOYSA-N
MW289.55 g/mol
LogP4.02
Rot. Bonds3

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

2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine (PubChem CID 103054688) has the molecular formula C11H7Cl3N2O and a molecular weight of 289.55 g/mol. Its IUPAC name is 2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
PubChem CID103054688
Molecular FormulaC11H7Cl3N2O
Molecular Weight289.55 g/mol
Exact Mass287.96
IUPAC Name2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
SMILESClc1ccc(Cl)c(OCc2cnc(Cl)cn2)c1
InChIInChI=1S/C11H7Cl3N2O/c12-7-1-2-9(13)10(3-7)17-6-8-4-16-11(14)5-15-8/h1-5H,6H2
InChIKeyDDGHGAMPSFMMIR-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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Related Compounds

3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
CID 104514067
5-[(2,5-dichlorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103058081
2-chloro-5-[(4-chlorophenoxy)methyl]pyrazine
CID 103054702
2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine
CID 103054875
2-chloro-5-[(2-fluorophenoxy)methyl]pyrazine
CID 103054699
2-chloro-5-[(3,5-dichlorophenoxy)methyl]pyrazine
CID 103054815
2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyrazine
CID 103054818
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
5-[(5-chloro-2-methylphenoxy)methyl]pyrazin-2-amine
CID 103059224
3-[(2,5-dichlorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 78967539
[4-[(2,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 63881091

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine (CID 103054688) is 2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine is Clc1ccc(Cl)c(OCc2cnc(Cl)cn2)c1.
What is the InChIKey of 2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine?
The InChIKey is DDGHGAMPSFMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O/c12-7-1-2-9(13)10(3-7)17-6-8-4-16-11(14)5-15-8/h1-5H,6H2.
What are the key properties of 2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine?
2-chloro-5-[(2,5-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-[(2,5-dichlorophenoxy)methyl]pyrazine is sourced from PubChem (CID 103054688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).