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

C10H10F3NO3 — CID 60670497

IUPACmethyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
SMILESCOC(=O)CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H10F3NO3/c1-17-9(16)4-5-14-6-7(10(11,12)13)2-3-8(14)15/h2-3,6H,4-5H2,1H3
InChIKeyVPCZQFAIFRDULS-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.43
Rot. Bonds3

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

methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate (PubChem CID 60670497) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
PubChem CID60670497
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Namemethyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
SMILESCOC(=O)CCn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C10H10F3NO3/c1-17-9(16)4-5-14-6-7(10(11,12)13)2-3-8(14)15/h2-3,6H,4-5H2,1H3
InChIKeyVPCZQFAIFRDULS-UHFFFAOYSA-N
XLogP1.43
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate?
The IUPAC name of methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate (CID 60670497) is methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate.
What is the SMILES notation for methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate?
The canonical SMILES for methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate is COC(=O)CCn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate?
The InChIKey is VPCZQFAIFRDULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-17-9(16)4-5-14-6-7(10(11,12)13)2-3-8(14)15/h2-3,6H,4-5H2,1H3.
What are the key properties of methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate?
methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate has a molecular weight of 249.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate is sourced from PubChem (CID 60670497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).