3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine

C19H14Cl2F2N2O — CID 21110796

About 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine (PubChem CID 21110796) has the molecular formula C19H14Cl2F2N2O and a molecular weight of 395.24 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
• PubChem CID: 21110796
• Molecular Formula: C19H14Cl2F2N2O
• Molecular Weight: 395.24 g/mol
• Exact Mass: 394.05
• IUPAC Name: 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
• SMILES: CC(Oc1cc(-c2ccc(F)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl
• InChI: InChI=1S/C19H14Cl2F2N2O/c1-10(17-14(20)6-7-15(23)18(17)21)26-16-8-12(9-25-19(16)24)11-2-4-13(22)5-3-11/h2-10H,1H3,(H2,24,25)
• InChIKey: JHARIMMUWWVLAN-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 48.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.24
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine?

The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine (CID 21110796) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine?

The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine is CC(Oc1cc(-c2ccc(F)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl.

What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine?

The InChIKey is JHARIMMUWWVLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F2N2O/c1-10(17-14(20)6-7-15(23)18(17)21)26-16-8-12(9-25-19(16)24)11-2-4-13(22)5-3-11/h2-10H,1H3,(H2,24,25).

What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine?

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine has a molecular weight of 395.24 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine is sourced from PubChem (CID 21110796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).