6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine

C11H9ClFN3O — CID 80876210

IUPAC6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H9ClFN3O/c1-14-10-5-15-6-11(16-10)17-7-2-3-9(13)8(12)4-7/h2-6H,1H3,(H,14,16)
InChIKeyGPDIATRKIWDTKK-UHFFFAOYSA-N
MW253.66 g/mol
LogP3.10
Rot. Bonds3

About 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine

6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine (PubChem CID 80876210) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
PubChem CID80876210
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H9ClFN3O/c1-14-10-5-15-6-11(16-10)17-7-2-3-9(13)8(12)4-7/h2-6H,1H3,(H,14,16)
InChIKeyGPDIATRKIWDTKK-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-fluorophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80876593
[6-(4-chloro-3-fluorophenoxy)pyrazin-2-yl]hydrazine
CID 82719274
6-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
2-tert-butyl-6-(3-chloro-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965877
6-(4-chloro-3-fluorophenoxy)-N-propylpyrazin-2-amine
CID 82718278
6-(3-iodophenoxy)-N-methylpyrazin-2-amine
CID 80881366
6-(3-bromo-4-fluorophenoxy)-N-ethylpyrazin-2-amine
CID 83236953
N-methyl-6-(3-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863588
4-(3-chloro-4-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80876211
6-(4-bromo-2-fluorophenoxy)-N-methylpyrazin-2-amine
CID 80881350
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 82717617

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine (CID 80876210) is 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine is CNc1cncc(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine?
The InChIKey is GPDIATRKIWDTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c1-14-10-5-15-6-11(16-10)17-7-2-3-9(13)8(12)4-7/h2-6H,1H3,(H,14,16).
What are the key properties of 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine?
6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine has a molecular weight of 253.66 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenoxy)-N-methylpyrazin-2-amine is sourced from PubChem (CID 80876210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).