3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine

C17H13Cl2FN4O — CID 141099212

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine
SMILESCC(Oc1nc(-c2ccccn2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C17H13Cl2FN4O/c1-9(14-10(18)5-6-11(20)15(14)19)25-17-16(21)23-8-13(24-17)12-4-2-3-7-22-12/h2-9H,1H3,(H2,21,23)
InChIKeyCHWXIHHRWQBUBY-UHFFFAOYSA-N
MW379.22 g/mol
LogP4.71
Rot. Bonds4

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine (PubChem CID 141099212) has the molecular formula C17H13Cl2FN4O and a molecular weight of 379.22 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine
PubChem CID141099212
Molecular FormulaC17H13Cl2FN4O
Molecular Weight379.22 g/mol
Exact Mass378.05
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine
SMILESCC(Oc1nc(-c2ccccn2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C17H13Cl2FN4O/c1-9(14-10(18)5-6-11(20)15(14)19)25-17-16(21)23-8-13(24-17)12-4-2-3-7-22-12/h2-9H,1H3,(H2,21,23)
InChIKeyCHWXIHHRWQBUBY-UHFFFAOYSA-N
XLogP4.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine (CID 141099212) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine is CC(Oc1nc(-c2ccccn2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine?
The InChIKey is CHWXIHHRWQBUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN4O/c1-9(14-10(18)5-6-11(20)15(14)19)25-17-16(21)23-8-13(24-17)12-4-2-3-7-22-12/h2-9H,1H3,(H2,21,23).
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine?
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine has a molecular weight of 379.22 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-pyridin-2-ylpyrazin-2-amine is sourced from PubChem (CID 141099212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).