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

C14H11Cl2FN2O3 — CID 164930206

IUPACmethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate
SMILESCOC(=O)[C@H](Oc1nc(F)c(Cl)c(N)c1Cl)c1ccccc1
InChIInChI=1S/C14H11Cl2FN2O3/c1-21-14(20)11(7-5-3-2-4-6-7)22-13-9(16)10(18)8(15)12(17)19-13/h2-6,11H,1H3,(H2,18,19)/t11-/m1/s1
InChIKeyPOJZKFRSJHZMJF-LLVKDONJSA-N
MW345.16 g/mol
LogP3.40
Rot. Bonds4

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

methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate (PubChem CID 164930206) has the molecular formula C14H11Cl2FN2O3 and a molecular weight of 345.16 g/mol. Its IUPAC name is methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate
PubChem CID164930206
Molecular FormulaC14H11Cl2FN2O3
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC Namemethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate
SMILESCOC(=O)[C@H](Oc1nc(F)c(Cl)c(N)c1Cl)c1ccccc1
InChIInChI=1S/C14H11Cl2FN2O3/c1-21-14(20)11(7-5-3-2-4-6-7)22-13-9(16)10(18)8(15)12(17)19-13/h2-6,11H,1H3,(H2,18,19)/t11-/m1/s1
InChIKeyPOJZKFRSJHZMJF-LLVKDONJSA-N
XLogP3.40
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 53.40
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-meptyl
CID 54745
Fluroxypyr, PFB
CID 91747685
1-[(4-Amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-4-methyldecan-2-one
CID 135082252
2-[(3,5-Dichloro-2,6-dimethyl-4-pyridinyl)oxy]-2-fluoro-1-phenylethanone
CID 162404419
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
methyl N-[2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxymethyl]phenyl]-N-methoxycarbamate
CID 57582393
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

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate?
The IUPAC name of methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate (CID 164930206) is methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate is COC(=O)[C@H](Oc1nc(F)c(Cl)c(N)c1Cl)c1ccccc1.
What is the InChIKey of methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate?
The InChIKey is POJZKFRSJHZMJF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O3/c1-21-14(20)11(7-5-3-2-4-6-7)22-13-9(16)10(18)8(15)12(17)19-13/h2-6,11H,1H3,(H2,18,19)/t11-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate?
methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate has a molecular weight of 345.16 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-2-phenylacetate is sourced from PubChem (CID 164930206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).