6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine

C11H9BrFN3O — CID 80881350

IUPAC6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H9BrFN3O/c1-14-10-5-15-6-11(16-10)17-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H,14,16)
InChIKeyWFHYQNYUPFHBLX-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.21
Rot. Bonds3

About 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine

6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine (PubChem CID 80881350) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine
PubChem CID80881350
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H9BrFN3O/c1-14-10-5-15-6-11(16-10)17-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H,14,16)
InChIKeyWFHYQNYUPFHBLX-UHFFFAOYSA-N
XLogP3.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromo-2-propan-2-ylphenoxy)-N-methylpyrazin-2-amine
CID 115403123
6-(2-bromo-4-methylphenoxy)-N-methylpyrazin-2-amine
CID 80859491
6-(2-bromophenoxy)-N-methylpyrazin-2-amine
CID 80860426
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
6-(4-bromo-2-fluorophenoxy)-N-ethylpyridin-2-amine
CID 80881020
[6-(4-bromo-2-chlorophenoxy)pyrazin-2-yl]hydrazine
CID 80916570
6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80876210
6-(4-bromo-2-fluorophenoxy)-N-propylpyridin-2-amine
CID 80881519
4-(4-bromo-2-fluorophenoxy)-N-methylquinazolin-2-amine
CID 80874999
6-(2-ethylphenoxy)-N-methylpyrazin-2-amine
CID 80875842
N-methyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863610
[6-(4-bromo-2-nitrophenoxy)pyrazin-2-yl]hydrazine
CID 80922024

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine (CID 80881350) is 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine is CNc1cncc(Oc2ccc(Br)cc2F)n1.
What is the InChIKey of 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine?
The InChIKey is WFHYQNYUPFHBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-14-10-5-15-6-11(16-10)17-9-3-2-7(12)4-8(9)13/h2-6H,1H3,(H,14,16).
What are the key properties of 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine?
6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine has a molecular weight of 298.12 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine is sourced from PubChem (CID 80881350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).