methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate

C15H10Cl2F3NO2 — CID 18327273

IUPACmethyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2/c1-23-14(22)12(8-2-4-10(16)5-3-8)13-11(17)6-9(7-21-13)15(18,19)20/h2-7,12H,1H3
InChIKeyWWLLXOWLORCFLK-UHFFFAOYSA-N
MW364.15 g/mol
LogP4.71
Rot. Bonds3

About methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate

methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 18327273) has the molecular formula C15H10Cl2F3NO2 and a molecular weight of 364.15 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID18327273
Molecular FormulaC15H10Cl2F3NO2
Molecular Weight364.15 g/mol
Exact Mass363.00
IUPAC Namemethyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H10Cl2F3NO2/c1-23-14(22)12(8-2-4-10(16)5-3-8)13-11(17)6-9(7-21-13)15(18,19)20/h2-7,12H,1H3
InChIKeyWWLLXOWLORCFLK-UHFFFAOYSA-N
XLogP4.71
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate (CID 18327273) is methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is WWLLXOWLORCFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3NO2/c1-23-14(22)12(8-2-4-10(16)5-3-8)13-11(17)6-9(7-21-13)15(18,19)20/h2-7,12H,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 364.15 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 18327273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).