ethyl 5-(trifluoromethyl)pyridine-2-carboxylate

C9H8F3NO2 — CID 27282707

IUPACethyl 5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H8F3NO2/c1-2-15-8(14)7-4-3-6(5-13-7)9(10,11)12/h3-5H,2H2,1H3
InChIKeyKCMOTZFSBYHKCI-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.28
Rot. Bonds2

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

ethyl 5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 27282707) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is ethyl 5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID27282707
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Nameethyl 5-(trifluoromethyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H8F3NO2/c1-2-15-8(14)7-4-3-6(5-13-7)9(10,11)12/h3-5H,2H2,1H3
InChIKeyKCMOTZFSBYHKCI-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 5-(trifluoromethyl)pyridine-2-carboxylate (CID 27282707) is ethyl 5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-(trifluoromethyl)pyridine-2-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of ethyl 5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is KCMOTZFSBYHKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-2-15-8(14)7-4-3-6(5-13-7)9(10,11)12/h3-5H,2H2,1H3.
What are the key properties of ethyl 5-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 219.16 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 27282707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).