5-(3,5-difluorophenoxy)pyrazin-2-amine

C10H7F2N3O — CID 80663228

IUPAC5-(3,5-difluorophenoxy)pyrazin-2-amine
SMILESNc1cnc(Oc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C10H7F2N3O/c11-6-1-7(12)3-8(2-6)16-10-5-14-9(13)4-15-10/h1-5H,(H2,13,14)
InChIKeyIJKOMWFZRUREIY-UHFFFAOYSA-N
MW223.18 g/mol
LogP2.13
Rot. Bonds2

About 5-(3,5-difluorophenoxy)pyrazin-2-amine

5-(3,5-difluorophenoxy)pyrazin-2-amine (PubChem CID 80663228) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 5-(3,5-difluorophenoxy)pyrazin-2-amine.

Molecular Properties

Compound Name5-(3,5-difluorophenoxy)pyrazin-2-amine
PubChem CID80663228
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name5-(3,5-difluorophenoxy)pyrazin-2-amine
SMILESNc1cnc(Oc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C10H7F2N3O/c11-6-1-7(12)3-8(2-6)16-10-5-14-9(13)4-15-10/h1-5H,(H2,13,14)
InChIKeyIJKOMWFZRUREIY-UHFFFAOYSA-N
XLogP2.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenoxy)pyrazin-2-amine?
The IUPAC name of 5-(3,5-difluorophenoxy)pyrazin-2-amine (CID 80663228) is 5-(3,5-difluorophenoxy)pyrazin-2-amine.
What is the SMILES notation for 5-(3,5-difluorophenoxy)pyrazin-2-amine?
The canonical SMILES for 5-(3,5-difluorophenoxy)pyrazin-2-amine is Nc1cnc(Oc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 5-(3,5-difluorophenoxy)pyrazin-2-amine?
The InChIKey is IJKOMWFZRUREIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c11-6-1-7(12)3-8(2-6)16-10-5-14-9(13)4-15-10/h1-5H,(H2,13,14).
What are the key properties of 5-(3,5-difluorophenoxy)pyrazin-2-amine?
5-(3,5-difluorophenoxy)pyrazin-2-amine has a molecular weight of 223.18 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenoxy)pyrazin-2-amine is sourced from PubChem (CID 80663228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).