2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid

C8H6ClF3N2O3 — CID 115572196

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
SMILESO=C(O)CONc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O3/c9-5-1-4(8(10,11)12)2-13-7(5)14-17-3-6(15)16/h1-2H,3H2,(H,13,14)(H,15,16)
InChIKeyFOZOWGGEULGVEV-UHFFFAOYSA-N
MW270.59 g/mol
LogP2.18
Rot. Bonds4

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid (PubChem CID 115572196) has the molecular formula C8H6ClF3N2O3 and a molecular weight of 270.59 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
PubChem CID115572196
Molecular FormulaC8H6ClF3N2O3
Molecular Weight270.59 g/mol
Exact Mass270.00
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
SMILESO=C(O)CONc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C8H6ClF3N2O3/c9-5-1-4(8(10,11)12)2-13-7(5)14-17-3-6(15)16/h1-2H,3H2,(H,13,14)(H,15,16)
InChIKeyFOZOWGGEULGVEV-UHFFFAOYSA-N
XLogP2.18
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4,5-trifluorobenzoyl]amino]oxyacetic acid
CID 89277182
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 64701177
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid
CID 43465671
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl carbamate
CID 83204495
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-methylpropanoate
CID 2404388
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
CID 115430013

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid (CID 115572196) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid is O=C(O)CONc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid?
The InChIKey is FOZOWGGEULGVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2O3/c9-5-1-4(8(10,11)12)2-13-7(5)14-17-3-6(15)16/h1-2H,3H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid has a molecular weight of 270.59 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid is sourced from PubChem (CID 115572196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).