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

C14H19Cl2FN2O5 — CID 15278323

IUPAC1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCOCC(C)OCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C14H19Cl2FN2O5/c1-7(4-21-3)22-5-8(2)24-9(20)6-23-14-11(16)12(18)10(15)13(17)19-14/h7-8H,4-6H2,1-3H3,(H2,18,19)
InChIKeyHMNRWORRTOJWTD-UHFFFAOYSA-N
MW385.22 g/mol
LogP2.47
Rot. Bonds9

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

1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (PubChem CID 15278323) has the molecular formula C14H19Cl2FN2O5 and a molecular weight of 385.22 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
PubChem CID15278323
Molecular FormulaC14H19Cl2FN2O5
Molecular Weight385.22 g/mol
Exact Mass384.07
IUPAC Name1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCOCC(C)OCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C14H19Cl2FN2O5/c1-7(4-21-3)22-5-8(2)24-9(20)6-23-14-11(16)12(18)10(15)13(17)19-14/h7-8H,4-6H2,1-3H3,(H2,18,19)
InChIKeyHMNRWORRTOJWTD-UHFFFAOYSA-N
XLogP2.47
TPSA92.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate with MolForge

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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-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The IUPAC name of 1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CID 15278323) is 1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for 1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The canonical SMILES for 1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is COCC(C)OCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of 1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The InChIKey is HMNRWORRTOJWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2FN2O5/c1-7(4-21-3)22-5-8(2)24-9(20)6-23-14-11(16)12(18)10(15)13(17)19-14/h7-8H,4-6H2,1-3H3,(H2,18,19).
What are the key properties of 1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate has a molecular weight of 385.22 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yloxy)propan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 15278323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).