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

C10H9Cl2F3N2O3 — CID 164930241

IUPAC2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
SMILESC[C@@H](Oc1nc(F)c(Cl)c(N)c1Cl)C(=O)OCC(F)F
InChIInChI=1S/C10H9Cl2F3N2O3/c1-3(10(18)19-2-4(13)14)20-9-6(12)7(16)5(11)8(15)17-9/h3-4H,2H2,1H3,(H2,16,17)/t3-/m1/s1
InChIKeyXAIHRNLQMBTXMA-GSVOUGTGSA-N
MW333.09 g/mol
LogP2.69
Rot. Bonds5

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

2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate (PubChem CID 164930241) has the molecular formula C10H9Cl2F3N2O3 and a molecular weight of 333.09 g/mol. Its IUPAC name is 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate.

Molecular Properties

Compound Name2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
PubChem CID164930241
Molecular FormulaC10H9Cl2F3N2O3
Molecular Weight333.09 g/mol
Exact Mass331.99
IUPAC Name2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate
SMILESC[C@@H](Oc1nc(F)c(Cl)c(N)c1Cl)C(=O)OCC(F)F
InChIInChI=1S/C10H9Cl2F3N2O3/c1-3(10(18)19-2-4(13)14)20-9-6(12)7(16)5(11)8(15)17-9/h3-4H,2H2,1H3,(H2,16,17)/t3-/m1/s1
InChIKeyXAIHRNLQMBTXMA-GSVOUGTGSA-N
XLogP2.69
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate with MolForge

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Related Compounds

(3R)-3-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]butanoic acid
CID 171060276
2-methylpropyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082543
3,5-dichloro-2-fluoro-6-(2-methylpropoxy)pyridin-4-amine
CID 166995843
2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoic acid;deuterioethyne;(propan-2-ylideneamino) 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate;N-propan-2-ylidenehydroxylamine
CID 163466921
1,1,1,2,3,3,3-heptadeuteriopropan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 169440678
propyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082569
1-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]octan-2-yl acetate
CID 70519225
2,2-difluoroethyl 2-fluoropropanoate
CID 141498564
2,2-difluoroethyl 2-methylpropanoate
CID 87205519
S-[(4-methylphenyl)methyl] 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]ethanethioate
CID 167082555
5-chloro-2,6-difluoropyridine-3,4-diamine
CID 22284051
(3-methylphenyl)methyl 2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate
CID 167082625

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate?
The IUPAC name of 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate (CID 164930241) is 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate.
What is the SMILES notation for 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate?
The canonical SMILES for 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate is C[C@@H](Oc1nc(F)c(Cl)c(N)c1Cl)C(=O)OCC(F)F.
What is the InChIKey of 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate?
The InChIKey is XAIHRNLQMBTXMA-GSVOUGTGSA-N. The full InChI is InChI=1S/C10H9Cl2F3N2O3/c1-3(10(18)19-2-4(13)14)20-9-6(12)7(16)5(11)8(15)17-9/h3-4H,2H2,1H3,(H2,16,17)/t3-/m1/s1.
What are the key properties of 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate?
2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate has a molecular weight of 333.09 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 2,2-difluoroethyl (2R)-2-[(4-amino-3,5-dichloro-6-fluoro-2-pyridinyl)oxy]propanoate is sourced from PubChem (CID 164930241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).