Skip to content

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one

C18H14Cl2FN3O2 — CID 155565957

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
SMILESCC(Oc1cc(-c2cc[nH]c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H14Cl2FN3O2/c1-9(16-12(19)2-3-13(21)17(16)20)26-14-6-11(8-24-18(14)22)10-4-5-23-15(25)7-10/h2-9H,1H3,(H2,22,24)(H,23,25)
InChIKeyQDIHRWAROZOBRH-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.61
Rot. Bonds4

About 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one

4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one (PubChem CID 155565957) has the molecular formula C18H14Cl2FN3O2 and a molecular weight of 394.23 g/mol. Its IUPAC name is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
PubChem CID155565957
Molecular FormulaC18H14Cl2FN3O2
Molecular Weight394.23 g/mol
Exact Mass393.04
IUPAC Name4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one
SMILESCC(Oc1cc(-c2cc[nH]c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H14Cl2FN3O2/c1-9(16-12(19)2-3-13(21)17(16)20)26-14-6-11(8-24-18(14)22)10-4-5-23-15(25)7-10/h2-9H,1H3,(H2,22,24)(H,23,25)
InChIKeyQDIHRWAROZOBRH-UHFFFAOYSA-N
XLogP4.61
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one (CID 155565957) is 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one is CC(Oc1cc(-c2cc[nH]c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
The InChIKey is QDIHRWAROZOBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O2/c1-9(16-12(19)2-3-13(21)17(16)20)26-14-6-11(8-24-18(14)22)10-4-5-23-15(25)7-10/h2-9H,1H3,(H2,22,24)(H,23,25).
What are the key properties of 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one?
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one has a molecular weight of 394.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 155565957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.