2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid

C15H21Cl2FN2O3 — CID 67803966

IUPAC2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid
SMILESCCCCC(CC)CC(Oc1nc(F)c(Cl)c(N)c1Cl)C(=O)O
InChIInChI=1S/C15H21Cl2FN2O3/c1-3-5-6-8(4-2)7-9(15(21)22)23-14-11(17)12(19)10(16)13(18)20-14/h8-9H,3-7H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyIZLYITLZSVZGAL-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.55
Rot. Bonds9

About 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid

2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid (PubChem CID 67803966) has the molecular formula C15H21Cl2FN2O3 and a molecular weight of 367.25 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid.

Molecular Properties

Compound Name2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid
PubChem CID67803966
Molecular FormulaC15H21Cl2FN2O3
Molecular Weight367.25 g/mol
Exact Mass366.09
IUPAC Name2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid
SMILESCCCCC(CC)CC(Oc1nc(F)c(Cl)c(N)c1Cl)C(=O)O
InChIInChI=1S/C15H21Cl2FN2O3/c1-3-5-6-8(4-2)7-9(15(21)22)23-14-11(17)12(19)10(16)13(18)20-14/h8-9H,3-7H2,1-2H3,(H2,19,20)(H,21,22)
InChIKeyIZLYITLZSVZGAL-UHFFFAOYSA-N
XLogP4.55
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid 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 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid?
The IUPAC name of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid (CID 67803966) is 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid.
What is the SMILES notation for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid?
The canonical SMILES for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid is CCCCC(CC)CC(Oc1nc(F)c(Cl)c(N)c1Cl)C(=O)O.
What is the InChIKey of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid?
The InChIKey is IZLYITLZSVZGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2FN2O3/c1-3-5-6-8(4-2)7-9(15(21)22)23-14-11(17)12(19)10(16)13(18)20-14/h8-9H,3-7H2,1-2H3,(H2,19,20)(H,21,22).
What are the key properties of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid?
2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid has a molecular weight of 367.25 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid is sourced from PubChem (CID 67803966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).