methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

C9H7ClF3NO3 — CID 17433593

IUPACmethyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C9H7ClF3NO3/c1-17-7(15)4-14-3-5(9(11,12)13)2-6(10)8(14)16/h2-3H,4H2,1H3
InChIKeyDZFZYZUKRFWYHF-UHFFFAOYSA-N
MW269.61 g/mol
LogP1.69
Rot. Bonds2

About methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate

methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (PubChem CID 17433593) has the molecular formula C9H7ClF3NO3 and a molecular weight of 269.61 g/mol. Its IUPAC name is methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
PubChem CID17433593
Molecular FormulaC9H7ClF3NO3
Molecular Weight269.61 g/mol
Exact Mass269.01
IUPAC Namemethyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C9H7ClF3NO3/c1-17-7(15)4-14-3-5(9(11,12)13)2-6(10)8(14)16/h2-3H,4H2,1H3
InChIKeyDZFZYZUKRFWYHF-UHFFFAOYSA-N
XLogP1.69
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.61
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate (CID 17433593) is methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is COC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
The InChIKey is DZFZYZUKRFWYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO3/c1-17-7(15)4-14-3-5(9(11,12)13)2-6(10)8(14)16/h2-3H,4H2,1H3.
What are the key properties of methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate?
methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate has a molecular weight of 269.61 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetate is sourced from PubChem (CID 17433593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).