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

C11H13Cl2FN2O3 — CID 167082543

IUPAC2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCC(C)COC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C11H13Cl2FN2O3/c1-5(2)3-18-6(17)4-19-11-8(13)9(15)7(12)10(14)16-11/h5H,3-4H2,1-2H3,(H2,15,16)
InChIKeyOEDFZUQYJHMNRE-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.69
Rot. Bonds5

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

2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (PubChem CID 167082543) has the molecular formula C11H13Cl2FN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
PubChem CID167082543
Molecular FormulaC11H13Cl2FN2O3
Molecular Weight311.14 g/mol
Exact Mass310.03
IUPAC Name2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
SMILESCC(C)COC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChIInChI=1S/C11H13Cl2FN2O3/c1-5(2)3-18-6(17)4-19-11-8(13)9(15)7(12)10(14)16-11/h5H,3-4H2,1-2H3,(H2,15,16)
InChIKeyOEDFZUQYJHMNRE-UHFFFAOYSA-N
XLogP2.69
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.69
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

3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
CID 166995843
propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082569
1,1,1,2,3,3,3-heptadeuteriopropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 169440678
(3-methylphenyl)methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082625
2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
CID 164930241
(3-bromophenyl)methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082577
(3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid
CID 171060276
(benzhydrylideneamino) 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082661
S-[(4-methylphenyl)methyl] 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]ethanethioate
CID 167082555
[2-oxo-2-(N-[4-(trifluoromethyl)phenyl]anilino)ethyl] 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082553
S-(pyridin-4-ylmethyl) 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]ethanethioate
CID 167082673
6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid;octan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 73425585

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The IUPAC name of 2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate (CID 167082543) is 2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate.
What is the SMILES notation for 2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The canonical SMILES for 2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is CC(C)COC(=O)COc1nc(F)c(Cl)c(N)c1Cl.
What is the InChIKey of 2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
The InChIKey is OEDFZUQYJHMNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O3/c1-5(2)3-18-6(17)4-19-11-8(13)9(15)7(12)10(14)16-11/h5H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate?
2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate has a molecular weight of 311.14 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate is sourced from PubChem (CID 167082543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).