(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate

C15H21Cl2FN2O2 — CID 57125396

IUPAC(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate
SMILESCCCCC(CC)CCC(=O)Oc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H21Cl2FN2O2/c1-3-5-6-9(4-2)7-8-10(21)22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)
InChIKeyQTAWPRWOAZYQTF-UHFFFAOYSA-N
MW351.25 g/mol
LogP5.01
Rot. Bonds8

About (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate

(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate (PubChem CID 57125396) has the molecular formula C15H21Cl2FN2O2 and a molecular weight of 351.25 g/mol. Its IUPAC name is (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate.

Molecular Properties

Compound Name(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate
PubChem CID57125396
Molecular FormulaC15H21Cl2FN2O2
Molecular Weight351.25 g/mol
Exact Mass350.10
IUPAC Name(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate
SMILESCCCCC(CC)CCC(=O)Oc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H21Cl2FN2O2/c1-3-5-6-9(4-2)7-8-10(21)22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)
InChIKeyQTAWPRWOAZYQTF-UHFFFAOYSA-N
XLogP5.01
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.25
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

Fluroxypyr-meptyl
CID 54745
Fluroxypyr, ethyl ester
CID 21522713
Fluroxypyr, PFB
CID 91747685
Fluroxypyr, butyl ester
CID 91753766
1-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one
CID 135082252
2-Ethylhexyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 15278326
(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl) acetate
CID 15842285
2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-8-methylnonanoic acid
CID 23317805
6-Methylheptyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 23317807
2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-ethyloctanoic acid
CID 67803966
2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-methylnonanoic acid
CID 69286544
2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-methylnonanoic acid
CID 69341785

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate?
The IUPAC name of (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate (CID 57125396) is (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate.
What is the SMILES notation for (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate?
The canonical SMILES for (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate is CCCCC(CC)CCC(=O)Oc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate?
The InChIKey is QTAWPRWOAZYQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2FN2O2/c1-3-5-6-9(4-2)7-8-10(21)22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20).
What are the key properties of (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate?
(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate has a molecular weight of 351.25 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate is sourced from PubChem (CID 57125396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).