ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate

C10H9ClF3NO3 — CID 106971597

IUPACethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H9ClF3NO3/c1-2-18-9(17)7(16)5-3-4-6(10(12,13)14)15-8(5)11/h3-4,7,16H,2H2,1H3
InChIKeyJSASUSKDGYZAED-UHFFFAOYSA-N
MW283.63 g/mol
LogP2.35
Rot. Bonds3

About ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate

ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate (PubChem CID 106971597) has the molecular formula C10H9ClF3NO3 and a molecular weight of 283.63 g/mol. Its IUPAC name is ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate
PubChem CID106971597
Molecular FormulaC10H9ClF3NO3
Molecular Weight283.63 g/mol
Exact Mass283.02
IUPAC Nameethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C10H9ClF3NO3/c1-2-18-9(17)7(16)5-3-4-6(10(12,13)14)15-8(5)11/h3-4,7,16H,2H2,1H3
InChIKeyJSASUSKDGYZAED-UHFFFAOYSA-N
XLogP2.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.63
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate (CID 106971597) is ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate is CCOC(=O)C(O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate?
The InChIKey is JSASUSKDGYZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO3/c1-2-18-9(17)7(16)5-3-4-6(10(12,13)14)15-8(5)11/h3-4,7,16H,2H2,1H3.
What are the key properties of ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate?
ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate has a molecular weight of 283.63 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-hydroxyacetate is sourced from PubChem (CID 106971597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).