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

C14H19Cl2FN2O4 — CID 15278321

IUPAC1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCCCCOCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C14H19Cl2FN2O4/c1-3-4-5-21-6-8(2)23-9(20)7-22-14-11(16)12(18)10(15)13(17)19-14/h8H,3-7H2,1-2H3,(H2,18,19)
InChIKeyZKFARSBUEBZZJT-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.24
Rot. Bonds9

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

1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (PubChem CID 15278321) has the molecular formula C14H19Cl2FN2O4 and a molecular weight of 369.22 g/mol. Its IUPAC name is 1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Name1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
PubChem CID15278321
Molecular FormulaC14H19Cl2FN2O4
Molecular Weight369.22 g/mol
Exact Mass368.07
IUPAC Name1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCCCCOCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C14H19Cl2FN2O4/c1-3-4-5-21-6-8(2)23-9(20)7-22-14-11(16)12(18)10(15)13(17)19-14/h8H,3-7H2,1-2H3,(H2,18,19)
InChIKeyZKFARSBUEBZZJT-UHFFFAOYSA-N
XLogP3.24
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The IUPAC name of 1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CID 15278321) is 1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for 1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The canonical SMILES for 1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is CCCCOCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of 1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The InChIKey is ZKFARSBUEBZZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2FN2O4/c1-3-4-5-21-6-8(2)23-9(20)7-22-14-11(16)12(18)10(15)13(17)19-14/h8H,3-7H2,1-2H3,(H2,18,19).
What are the key properties of 1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate has a molecular weight of 369.22 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxypropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 15278321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).