methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate

C9H8F3NO2 — CID 91844870

IUPACmethyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H8F3NO2/c1-15-8(14)4-7-3-2-6(5-13-7)9(10,11)12/h2-3,5H,4H2,1H3
InChIKeyNRNPXRRCVOQOMJ-UHFFFAOYSA-N
MW219.16 g/mol
LogP1.82
Rot. Bonds2

About methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate

methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 91844870) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID91844870
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Namemethyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H8F3NO2/c1-15-8(14)4-7-3-2-6(5-13-7)9(10,11)12/h2-3,5H,4H2,1H3
InChIKeyNRNPXRRCVOQOMJ-UHFFFAOYSA-N
XLogP1.82
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridineacetic acid, hydrochloride (1:1)
CID 85317
Ethyl 3-pyridylacetate
CID 96490
2-Pyridineacetic acid
CID 85318
Ethyl 2-cyano-2-(pyridin-2-yl)acetate
CID 2842210
Methyl 2-pyridylacetate
CID 74264
Ethyl 2-pyridylacetate
CID 75960
Methyl pyridine-3-acetate
CID 96475
2-(5-Fluoro-3-methylpyridin-2-yl)acetic acid
CID 60164443
(+/-)-threo-N-(3-Methylpyridine)methylphenidate
CID 52943482
(+/-)-threo-N-(2-Methylpyridine)methylphenidate
CID 52943483
1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
CID 1490205
3-(3-Methylpyridin-2-yl)propanoic acid
CID 28924889

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate (CID 91844870) is methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is NRNPXRRCVOQOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-15-8(14)4-7-3-2-6(5-13-7)9(10,11)12/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 219.16 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 91844870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).