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

C8H6Cl2FN2O3- — CID 20831795

IUPAC2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
SMILESCC(Oc1nc(F)c(Cl)c(N)c1Cl)C(=O)[O-]
InChIInChI=1S/C8H7Cl2FN2O3/c1-2(8(14)15)16-7-4(10)5(12)3(9)6(11)13-7/h2H,1H3,(H2,12,13)(H,14,15)/p-1
InChIKeyLEIWLFHGOGNSAD-UHFFFAOYSA-M
MW268.05 g/mol
LogP0.63
Rot. Bonds3

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

2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate (PubChem CID 20831795) has the molecular formula C8H6Cl2FN2O3- and a molecular weight of 268.05 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate.

Molecular Properties

Compound Name2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
PubChem CID20831795
Molecular FormulaC8H6Cl2FN2O3-
Molecular Weight268.05 g/mol
Exact Mass266.97
IUPAC Name2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
SMILESCC(Oc1nc(F)c(Cl)c(N)c1Cl)C(=O)[O-]
InChIInChI=1S/C8H7Cl2FN2O3/c1-2(8(14)15)16-7-4(10)5(12)3(9)6(11)13-7/h2H,1H3,(H2,12,13)(H,14,15)/p-1
InChIKeyLEIWLFHGOGNSAD-UHFFFAOYSA-M
XLogP0.63
TPSA88.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Fluroxypyr
CID 50465
Fluroxypyr-meptyl
CID 54745
Fluroxypyr-2-methoxy
CID 182245
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
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 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate?
The IUPAC name of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate (CID 20831795) is 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate.
What is the SMILES notation for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate?
The canonical SMILES for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate is 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]propanoate?
The InChIKey is LEIWLFHGOGNSAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7Cl2FN2O3/c1-2(8(14)15)16-7-4(10)5(12)3(9)6(11)13-7/h2H,1H3,(H2,12,13)(H,14,15)/p-1.
What are the key properties of 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate?
2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate has a molecular weight of 268.05 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate is sourced from PubChem (CID 20831795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).