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

C19H15Cl2FN2O — CID 16725054

IUPAC3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine
SMILESCC(Oc1cc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H15Cl2FN2O/c1-11(17-14(20)7-8-15(22)18(17)21)25-16-9-13(10-24-19(16)23)12-5-3-2-4-6-12/h2-11H,1H3,(H2,23,24)
InChIKeyXVADSHHYRFVFSJ-UHFFFAOYSA-N
MW377.25 g/mol
LogP5.92
Rot. Bonds4

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

3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine (PubChem CID 16725054) has the molecular formula C19H15Cl2FN2O and a molecular weight of 377.25 g/mol. Its IUPAC name is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine
PubChem CID16725054
Molecular FormulaC19H15Cl2FN2O
Molecular Weight377.25 g/mol
Exact Mass376.05
IUPAC Name3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine
SMILESCC(Oc1cc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C19H15Cl2FN2O/c1-11(17-14(20)7-8-15(22)18(17)21)25-16-9-13(10-24-19(16)23)12-5-3-2-4-6-12/h2-11H,1H3,(H2,23,24)
InChIKeyXVADSHHYRFVFSJ-UHFFFAOYSA-N
XLogP5.92
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.25
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenylpyridin-2-amine?
The IUPAC name of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine (CID 16725054) is 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine.
What is the SMILES notation for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine?
The canonical SMILES for 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine is CC(Oc1cc(-c2ccccc2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine?
The InChIKey is XVADSHHYRFVFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O/c1-11(17-14(20)7-8-15(22)18(17)21)25-16-9-13(10-24-19(16)23)12-5-3-2-4-6-12/h2-11H,1H3,(H2,23,24).
What are the key properties of 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine?
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-phenylpyridin-2-amine has a molecular weight of 377.25 g/mol, XLogP of 5.92, 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-phenylpyridin-2-amine is sourced from PubChem (CID 16725054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).