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

C10H10F3NO2 — CID 146109758

IUPACmethyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate
SMILESCOC(=O)C(C)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO2/c1-6(9(15)16-2)8-4-3-7(5-14-8)10(11,12)13/h3-6H,1-2H3
InChIKeyDHJJWPJNAVQFLG-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.38
Rot. Bonds2

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

methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate (PubChem CID 146109758) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate
PubChem CID146109758
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate
SMILESCOC(=O)C(C)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO2/c1-6(9(15)16-2)8-4-3-7(5-14-8)10(11,12)13/h3-6H,1-2H3
InChIKeyDHJJWPJNAVQFLG-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.38
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
(+/-)-threo-N-(4-Methylpyridine)methylphenidate
CID 52950138
1,3-Dimethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanedioate
CID 1490205

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
The IUPAC name of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate (CID 146109758) is methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate.
What is the SMILES notation for methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
The canonical SMILES for methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate is COC(=O)C(C)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
The InChIKey is DHJJWPJNAVQFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-6(9(15)16-2)8-4-3-7(5-14-8)10(11,12)13/h3-6H,1-2H3.
What are the key properties of methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate?
methyl 2-[5-(trifluoromethyl)-2-pyridinyl]propanoate has a molecular weight of 233.19 g/mol, XLogP of 2.38, 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]propanoate is sourced from PubChem (CID 146109758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).