1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate

C15H21Cl2FN2O4 — CID 15278322

IUPAC1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCCCCOCC(CC)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H21Cl2FN2O4/c1-3-5-6-22-7-9(4-2)24-10(21)8-23-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)
InChIKeyQDAXJCZLBFKOQS-UHFFFAOYSA-N
MW383.25 g/mol
LogP3.63
Rot. Bonds10

About 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate

1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (PubChem CID 15278322) has the molecular formula C15H21Cl2FN2O4 and a molecular weight of 383.25 g/mol. Its IUPAC name is 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Name1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
PubChem CID15278322
Molecular FormulaC15H21Cl2FN2O4
Molecular Weight383.25 g/mol
Exact Mass382.09
IUPAC Name1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCCCCOCC(CC)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H21Cl2FN2O4/c1-3-5-6-22-7-9(4-2)24-10(21)8-23-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)
InChIKeyQDAXJCZLBFKOQS-UHFFFAOYSA-N
XLogP3.63
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
CID 50465
Fluroxypyr-meptyl
CID 54745
methyl O-(4-amino-3,5-dichloro-6-fluoropyridin-2-yloxy)acetate
CID 5463802
2-(4-Amino-3,5-dichloro-6-fluoropyridin-1-ium-2-yl)oxyacetate
CID 145798125
Fluroxypyr-butometyl
CID 15278321
(2R)-2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxypropanoic acid
CID 156054198
[3,5-Dichloro-2-ethoxy-6-(trichloromethyl)-4-pyridinyl] 2-methoxyacetate
CID 10982190
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
tert-Butyldi(methyl)silyl [(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetate
CID 177839930

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The IUPAC name of 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CID 15278322) is 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The canonical SMILES for 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is CCCCOCC(CC)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The InChIKey is QDAXJCZLBFKOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2FN2O4/c1-3-5-6-22-7-9(4-2)24-10(21)8-23-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20).
What are the key properties of 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate has a molecular weight of 383.25 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 15278322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).