1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one

C16H23Cl2FN2O2 — CID 135082252

IUPAC1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one
SMILESCCCCCCC(C)CC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C16H23Cl2FN2O2/c1-3-4-5-6-7-10(2)8-11(22)9-23-16-13(18)14(20)12(17)15(19)21-16/h10H,3-9H2,1-2H3,(H2,20,21)
InChIKeyGSRXLIAEXZJHFW-UHFFFAOYSA-N
MW365.28 g/mol
LogP5.05
Rot. Bonds10

About 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one

1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one (PubChem CID 135082252) has the molecular formula C16H23Cl2FN2O2 and a molecular weight of 365.28 g/mol. Its IUPAC name is 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one.

Molecular Properties

Compound Name1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one
PubChem CID135082252
Molecular FormulaC16H23Cl2FN2O2
Molecular Weight365.28 g/mol
Exact Mass364.11
IUPAC Name1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one
SMILESCCCCCCC(C)CC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C16H23Cl2FN2O2/c1-3-4-5-6-7-10(2)8-11(22)9-23-16-13(18)14(20)12(17)15(19)21-16/h10H,3-9H2,1-2H3,(H2,20,21)
InChIKeyGSRXLIAEXZJHFW-UHFFFAOYSA-N
XLogP5.05
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.28
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Fluroxypyr-meptyl
CID 54745
Fluroxypyr-butometyl
CID 15278321
1-Butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 15278322
1-(1-Methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 15278323
2-Ethylhexyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 15278326
2-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
CID 20831795
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
(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl) 4-ethyloctanoate
CID 57125396
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 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one?
The IUPAC name of 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one (CID 135082252) is 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one.
What is the SMILES notation for 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one?
The canonical SMILES for 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one is CCCCCCC(C)CC(=O)COc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one?
The InChIKey is GSRXLIAEXZJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2FN2O2/c1-3-4-5-6-7-10(2)8-11(22)9-23-16-13(18)14(20)12(17)15(19)21-16/h10H,3-9H2,1-2H3,(H2,20,21).
What are the key properties of 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one?
1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one has a molecular weight of 365.28 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one is sourced from PubChem (CID 135082252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).