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

C12H11BrFN3O — CID 83236953

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

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

6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine (PubChem CID 83236953) has the molecular formula C12H11BrFN3O and a molecular weight of 312.14 g/mol. Its IUPAC name is 6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine
PubChem CID83236953
Molecular FormulaC12H11BrFN3O
Molecular Weight312.14 g/mol
Exact Mass311.01
IUPAC Name6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Oc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C12H11BrFN3O/c1-2-16-11-6-15-7-12(17-11)18-8-3-4-10(14)9(13)5-8/h3-7H,2H2,1H3,(H,16,17)
InChIKeyLTKMBCCDKDXVCL-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-(4-bromo-3-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 80877912
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-methoxypyrazin-2-amine
CID 21419063
N-ethyl-6-(2-fluoro-4-methoxyphenyl)pyrazin-2-amine
CID 113324952
6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80876210
5-[(3-bromo-4-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 83235069
3-[6-(ethylamino)pyrazin-2-yl]oxy-5-methoxybenzonitrile
CID 103568468
N-ethyl-6-[(4-methoxyphenyl)methoxy]pyrazin-2-amine
CID 80865438
2-N-(4-bromo-3-fluorophenyl)-6-N-ethylpyrazine-2,6-diamine
CID 80843376
6-(4-bromo-3-fluorophenoxy)-N-ethylpyrimidin-4-amine
CID 80878239
N-ethyl-6-(4-methoxy-2-nitrophenoxy)pyrazin-2-amine
CID 78989587

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine?
The IUPAC name of 6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine (CID 83236953) is 6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine is CCNc1cncc(Oc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine?
The InChIKey is LTKMBCCDKDXVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFN3O/c1-2-16-11-6-15-7-12(17-11)18-8-3-4-10(14)9(13)5-8/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine?
6-(3-bromo-4-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-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine is sourced from PubChem (CID 83236953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).