methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate

C14H12ClFN2O4 — CID 141019273

IUPACmethyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1ncccc1Oc1ccc(F)c(NCl)c1
InChIInChI=1S/C14H12ClFN2O4/c1-20-13(19)8-21-14-12(3-2-6-17-14)22-9-4-5-10(16)11(7-9)18-15/h2-7,18H,8H2,1H3
InChIKeyQOLVGVKSMPJSFC-UHFFFAOYSA-N
MW326.71 g/mol
LogP3.13
Rot. Bonds6

About methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate

methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate (PubChem CID 141019273) has the molecular formula C14H12ClFN2O4 and a molecular weight of 326.71 g/mol. Its IUPAC name is methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
PubChem CID141019273
Molecular FormulaC14H12ClFN2O4
Molecular Weight326.71 g/mol
Exact Mass326.05
IUPAC Namemethyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
SMILESCOC(=O)COc1ncccc1Oc1ccc(F)c(NCl)c1
InChIInChI=1S/C14H12ClFN2O4/c1-20-13(19)8-21-14-12(3-2-6-17-14)22-9-4-5-10(16)11(7-9)18-15/h2-7,18H,8H2,1H3
InChIKeyQOLVGVKSMPJSFC-UHFFFAOYSA-N
XLogP3.13
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[3-(2-chloro-4-fluoro-5-methylphenoxy)-2-pyridinyl]oxy]acetate
CID 138664444
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 2-[[3-[2-chloro-4-fluoro-5-[2-hydroxy-6-oxo-4-(trifluoromethyl)-1-pyridinyl]phenoxy]-2-pyridinyl]oxy]acetate
CID 91378493
methyl 2-[[3-[2-chloro-5-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
CID 18619210
methyl 2-(4-fluorophenoxy)acetate
CID 580550
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
ethyl 2-[[3-[2-chloro-5-[[4-[4-chloro-5-[[2-(2-ethoxy-2-oxoethoxy)-3-pyridinyl]oxy]-2-fluoroanilino]-1,1,1-trifluoro-4-oxobut-2-en-2-yl]amino]-4-fluorophenoxy]-2-pyridinyl]oxy]acetate
CID 138725936
2-(3-chloro-4-methylphenoxy)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 134116749
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
methyl 2-[2-(3-chloro-2-methylphenoxy)-3-pyridinyl]acetate
CID 19771885
2-(3-chloro-4-fluorophenoxy)pyridine-3-carbothioamide
CID 63880027

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate?
The IUPAC name of methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate (CID 141019273) is methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate?
The canonical SMILES for methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate is COC(=O)COc1ncccc1Oc1ccc(F)c(NCl)c1.
What is the InChIKey of methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate?
The InChIKey is QOLVGVKSMPJSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O4/c1-20-13(19)8-21-14-12(3-2-6-17-14)22-9-4-5-10(16)11(7-9)18-15/h2-7,18H,8H2,1H3.
What are the key properties of methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate?
methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate has a molecular weight of 326.71 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[3-(chloroamino)-4-fluorophenoxy]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 141019273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).