5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile

C12H8BrN3O2 — CID 104707141

IUPAC5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
SMILESCOc1ccc(Oc2cnc(C#N)cn2)c(Br)c1
InChIInChI=1S/C12H8BrN3O2/c1-17-9-2-3-11(10(13)4-9)18-12-7-15-8(5-14)6-16-12/h2-4,6-7H,1H3
InChIKeyLOQWZMXSQOJMNE-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.91
Rot. Bonds3

About 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile

5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile (PubChem CID 104707141) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
PubChem CID104707141
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
SMILESCOc1ccc(Oc2cnc(C#N)cn2)c(Br)c1
InChIInChI=1S/C12H8BrN3O2/c1-17-9-2-3-11(10(13)4-9)18-12-7-15-8(5-14)6-16-12/h2-4,6-7H,1H3
InChIKeyLOQWZMXSQOJMNE-UHFFFAOYSA-N
XLogP2.91
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-bromo-4-methoxyphenoxy)pyrazin-2-amine
CID 104708756
5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile
CID 133491376
2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
CID 107546049
6-(2-bromo-4-methoxyphenoxy)pyridin-3-amine
CID 104706426
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679
5-bromo-2-(2-bromo-4-methoxyphenoxy)benzonitrile
CID 114891095
5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
CID 116541439
5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile
CID 99836740
4-(2-bromo-4-methoxyphenoxy)-N,N-dimethylpyrimidin-2-amine
CID 104707588
4-(2-amino-4-methoxyphenoxy)-3-bromobenzonitrile
CID 82809083
5-(4-methoxyphenyl)pyrazine-2-carbonitrile
CID 19381792
ethane;2-methoxy-5-methylpyrazine;5-methylpyrazine-2-carbonitrile
CID 142379097

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile (CID 104707141) is 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile is COc1ccc(Oc2cnc(C#N)cn2)c(Br)c1.
What is the InChIKey of 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile?
The InChIKey is LOQWZMXSQOJMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c1-17-9-2-3-11(10(13)4-9)18-12-7-15-8(5-14)6-16-12/h2-4,6-7H,1H3.
What are the key properties of 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile?
5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile has a molecular weight of 306.12 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 104707141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).