methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate

C10H10F3NO2 — CID 144768295

IUPACmethyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCc1cc(C(F)(F)F)cnc1C(=O)OC
InChIInChI=1S/C10H10F3NO2/c1-3-6-4-7(10(11,12)13)5-14-8(6)9(15)16-2/h4-5H,3H2,1-2H3
InChIKeyLMEHTUVMZOEPFX-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.45
Rot. Bonds2

About methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate

methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 144768295) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID144768295
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Namemethyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCc1cc(C(F)(F)F)cnc1C(=O)OC
InChIInChI=1S/C10H10F3NO2/c1-3-6-4-7(10(11,12)13)5-14-8(6)9(15)16-2/h4-5H,3H2,1-2H3
InChIKeyLMEHTUVMZOEPFX-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate (CID 144768295) is methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate is CCc1cc(C(F)(F)F)cnc1C(=O)OC.
What is the InChIKey of methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is LMEHTUVMZOEPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-3-6-4-7(10(11,12)13)5-14-8(6)9(15)16-2/h4-5H,3H2,1-2H3.
What are the key properties of methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate?
methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 233.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 144768295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).