3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

C12H10Cl2FN3O — CID 68520327

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESCC(Oc1nccnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C12H10Cl2FN3O/c1-6(19-12-11(16)17-4-5-18-12)9-7(13)2-3-8(15)10(9)14/h2-6H,1H3,(H2,16,17)
InChIKeyRQXGFZHXWBARIV-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.64
Rot. Bonds3

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (PubChem CID 68520327) has the molecular formula C12H10Cl2FN3O and a molecular weight of 302.14 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
PubChem CID68520327
Molecular FormulaC12H10Cl2FN3O
Molecular Weight302.14 g/mol
Exact Mass301.02
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESCC(Oc1nccnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C12H10Cl2FN3O/c1-6(19-12-11(16)17-4-5-18-12)9-7(13)2-3-8(15)10(9)14/h2-6H,1H3,(H2,16,17)
InChIKeyRQXGFZHXWBARIV-UHFFFAOYSA-N
XLogP3.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]pyrazin-2-amine?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (CID 68520327) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is CC(Oc1nccnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The InChIKey is RQXGFZHXWBARIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O/c1-6(19-12-11(16)17-4-5-18-12)9-7(13)2-3-8(15)10(9)14/h2-6H,1H3,(H2,16,17).
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine has a molecular weight of 302.14 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is sourced from PubChem (CID 68520327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).