2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine

C12H9Br2ClN2O2 — CID 103054885

IUPAC2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine
SMILESCOc1cc(Br)c(OCc2cnc(Cl)cn2)cc1Br
InChIInChI=1S/C12H9Br2ClN2O2/c1-18-10-2-9(14)11(3-8(10)13)19-6-7-4-17-12(15)5-16-7/h2-5H,6H2,1H3
InChIKeyWNOLCTRMEAOCNS-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.24
Rot. Bonds4

About 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine

2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine (PubChem CID 103054885) has the molecular formula C12H9Br2ClN2O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine
PubChem CID103054885
Molecular FormulaC12H9Br2ClN2O2
Molecular Weight408.48 g/mol
Exact Mass405.87
IUPAC Name2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine
SMILESCOc1cc(Br)c(OCc2cnc(Cl)cn2)cc1Br
InChIInChI=1S/C12H9Br2ClN2O2/c1-18-10-2-9(14)11(3-8(10)13)19-6-7-4-17-12(15)5-16-7/h2-5H,6H2,1H3
InChIKeyWNOLCTRMEAOCNS-UHFFFAOYSA-N
XLogP4.24
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
1,4-dibromo-2-(chloromethoxy)-5-methoxybenzene
CID 79529092
2-chloro-5-[(2,5-dichlorophenoxy)methyl]pyrazine
CID 103054688
5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
CID 79403787
2-chloro-4-(2,5-dibromo-4-methoxyphenoxy)-5-methylpyridine
CID 83269021
6-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyridin-2-amine
CID 79403480
2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine
CID 103054875
2-chloro-5-[(3,5-dichlorophenoxy)methyl]pyrazine
CID 103054815
1,4-dibromo-2-(2-chloroethoxy)-5-methoxybenzene
CID 11233233
2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
CID 103054684
2-chloro-5-[(2-fluorophenoxy)methyl]pyrazine
CID 103054699
5-bromo-2-ethyl-4-methoxypyridine
CID 171630469

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine (CID 103054885) is 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine is COc1cc(Br)c(OCc2cnc(Cl)cn2)cc1Br.
What is the InChIKey of 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine?
The InChIKey is WNOLCTRMEAOCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O2/c1-18-10-2-9(14)11(3-8(10)13)19-6-7-4-17-12(15)5-16-7/h2-5H,6H2,1H3.
What are the key properties of 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine?
2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine has a molecular weight of 408.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrazine is sourced from PubChem (CID 103054885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).