[3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine

C11H9ClFN3O — CID 63879846

IUPAC[3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFN3O/c12-8-5-7(1-2-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H,6,14H2
InChIKeyGSEIMJJBDMJUEN-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.52
Rot. Bonds3

About [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine

[3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine (PubChem CID 63879846) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine
PubChem CID63879846
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name[3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H9ClFN3O/c12-8-5-7(1-2-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H,6,14H2
InChIKeyGSEIMJJBDMJUEN-UHFFFAOYSA-N
XLogP2.52
TPSA61.03 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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine (CID 63879846) is [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine is NCc1nccnc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine?
The InChIKey is GSEIMJJBDMJUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c12-8-5-7(1-2-9(8)13)17-11-10(6-14)15-3-4-16-11/h1-5H,6,14H2.
What are the key properties of [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine?
[3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine has a molecular weight of 253.66 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 63879846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).