6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine

C12H11BrFN3O — CID 80877912

IUPAC6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H11BrFN3O/c1-2-16-11-6-15-7-12(17-11)18-8-3-4-9(13)10(14)5-8/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRDFTYIOLMBIEJT-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.60
Rot. Bonds4

About 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine

6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine (PubChem CID 80877912) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
PubChem CID80877912
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C12H11BrFN3O/c1-2-16-11-6-15-7-12(17-11)18-8-3-4-9(13)10(14)5-8/h3-7H,2H2,1H3,(H,16,17)
InChIKeyRDFTYIOLMBIEJT-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 83236953
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
CID 82718278
N-ethyl-6-(3-methyl-4-nitrophenoxy)pyrazin-2-amine
CID 80870463
N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine
CID 113324952
2-N-(5-bromo-2,4-difluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 102855613
N-ethyl-6-methoxypyrazin-2-amine
CID 21419063
6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80876210
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
[6-(4-chloro-3-fluorophenoxy)pyrazin-2-yl]hydrazine
CID 82719274
3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile
CID 103568468

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine?
The IUPAC name of 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine (CID 80877912) is 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine is CCNc1cncc(Oc2ccc(Br)c(F)c2)n1.
What is the InChIKey of 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine?
The InChIKey is RDFTYIOLMBIEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-2-16-11-6-15-7-12(17-11)18-8-3-4-9(13)10(14)5-8/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine?
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine has a molecular weight of 312.14 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 80877912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).