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

C10H10F3NO2 — CID 71695294

IUPACethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)cnc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-3-16-9(15)7-4-6(2)5-14-8(7)10(11,12)13/h4-5H,3H2,1-2H3
InChIKeyKMTFLPWLLRFUJT-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.59
Rot. Bonds2

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

ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 71695294) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID71695294
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Nameethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C)cnc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-3-16-9(15)7-4-6(2)5-14-8(7)10(11,12)13/h4-5H,3H2,1-2H3
InChIKeyKMTFLPWLLRFUJT-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate (CID 71695294) is ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cc(C)cnc1C(F)(F)F.
What is the InChIKey of ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is KMTFLPWLLRFUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-3-16-9(15)7-4-6(2)5-14-8(7)10(11,12)13/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 233.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 71695294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).