ethyl 6-(trifluoromethyl)pyridine-3-carboxylate

C9H8F3NO2 — CID 11390362

IUPACethyl 6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO2/c1-2-15-8(14)6-3-4-7(13-5-6)9(10,11)12/h3-5H,2H2,1H3
InChIKeyNRFRJTLIEGYCOA-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.28
Rot. Bonds2

About ethyl 6-(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 11390362) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is ethyl 6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID11390362
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Nameethyl 6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO2/c1-2-15-8(14)6-3-4-7(13-5-6)9(10,11)12/h3-5H,2H2,1H3
InChIKeyNRFRJTLIEGYCOA-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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Related Compounds

Methyl Nicotinate
CID 7151
Ethyl Nicotinate
CID 69188
Dipropyl isocinchomeronate
CID 8693
Benzyl Nicotinate
CID 7191
2-Butoxyethyl 3-pyridinecarboxylate
CID 14866
Nicametate
CID 71650
Nicotinate
CID 937
Hexyl nicotinate
CID 90202
Isopropyl nicotinate
CID 68379
Butyl nicotinate
CID 81353
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
CID 117629482
CID 117629482

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(trifluoromethyl)pyridine-3-carboxylate (CID 11390362) is ethyl 6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of ethyl 6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is NRFRJTLIEGYCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-3-4-7(13-5-6)9(10,11)12/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 6-(trifluoromethyl)pyridine-3-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 6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 11390362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).