5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine

C12H10BrIN2O2 — CID 134183192

IUPAC5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine
SMILESCOc1ccc(COc2nc(Br)cnc2I)cc1
InChIInChI=1S/C12H10BrIN2O2/c1-17-9-4-2-8(3-5-9)7-18-12-11(14)15-6-10(13)16-12/h2-6H,7H2,1H3
InChIKeyCAJLBERXXWQIJX-UHFFFAOYSA-N
MW421.03 g/mol
LogP3.43
Rot. Bonds4

About 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine

5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine (PubChem CID 134183192) has the molecular formula C12H10BrIN2O2 and a molecular weight of 421.03 g/mol. Its IUPAC name is 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine.

Molecular Properties

Compound Name5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine
PubChem CID134183192
Molecular FormulaC12H10BrIN2O2
Molecular Weight421.03 g/mol
Exact Mass419.90
IUPAC Name5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine
SMILESCOc1ccc(COc2nc(Br)cnc2I)cc1
InChIInChI=1S/C12H10BrIN2O2/c1-17-9-4-2-8(3-5-9)7-18-12-11(14)15-6-10(13)16-12/h2-6H,7H2,1H3
InChIKeyCAJLBERXXWQIJX-UHFFFAOYSA-N
XLogP3.43
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.03
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
CID 67000104
5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 66317781
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 114073066
5-bromo-N-ethyl-4-[(4-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80866160
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
CID 62291690
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
2-methoxy-4-[(4-methoxyphenyl)methoxy]pyridine
CID 70697685
4-iodo-2-[(4-methoxyphenyl)methoxy]-5-methylpyridine
CID 157251524
2-[(4-methoxyphenyl)methoxy]-6-methylpyridin-3-amine
CID 81133075
(4-methoxyphenyl)methyl hypobromite
CID 166766888
5-iodo-4-[(4-methoxyphenyl)methoxy]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 66973750
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine?
The IUPAC name of 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine (CID 134183192) is 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine.
What is the SMILES notation for 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine?
The canonical SMILES for 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine is COc1ccc(COc2nc(Br)cnc2I)cc1.
What is the InChIKey of 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine?
The InChIKey is CAJLBERXXWQIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN2O2/c1-17-9-4-2-8(3-5-9)7-18-12-11(14)15-6-10(13)16-12/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine?
5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine has a molecular weight of 421.03 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-3-[(4-methoxyphenyl)methoxy]pyrazine is sourced from PubChem (CID 134183192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).