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

C15H13Cl2FN2O3 — CID 154967911

IUPACmethyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)Oc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H13Cl2FN2O3/c1-22-15(21)9(7-8-5-3-2-4-6-8)23-14-11(17)12(19)10(16)13(18)20-14/h2-6,9H,7H2,1H3,(H2,19,20)
InChIKeyKICQHOCDFYESFZ-UHFFFAOYSA-N
MW359.18 g/mol
LogP3.27
Rot. Bonds5

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

methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate (PubChem CID 154967911) has the molecular formula C15H13Cl2FN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate
PubChem CID154967911
Molecular FormulaC15H13Cl2FN2O3
Molecular Weight359.18 g/mol
Exact Mass358.03
IUPAC Namemethyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)Oc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C15H13Cl2FN2O3/c1-22-15(21)9(7-8-5-3-2-4-6-8)23-14-11(17)12(19)10(16)13(18)20-14/h2-6,9H,7H2,1H3,(H2,19,20)
InChIKeyKICQHOCDFYESFZ-UHFFFAOYSA-N
XLogP3.27
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 53.27
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 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate (CID 154967911) is methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)Oc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate?
The InChIKey is KICQHOCDFYESFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O3/c1-22-15(21)9(7-8-5-3-2-4-6-8)23-14-11(17)12(19)10(16)13(18)20-14/h2-6,9H,7H2,1H3,(H2,19,20).
What are the key properties of methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate?
methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate has a molecular weight of 359.18 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]-3-phenylpropanoate is sourced from PubChem (CID 154967911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).