ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate

C11H10F3NO2 — CID 69441068

IUPACethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESC=Cc1nc(C(=O)OCC)ccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-3-8-7(11(12,13)14)5-6-9(15-8)10(16)17-4-2/h3,5-6H,1,4H2,2H3
InChIKeyDZQCICYLQMLOSE-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.92
Rot. Bonds3

About ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate

ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 69441068) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID69441068
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Nameethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate
SMILESC=Cc1nc(C(=O)OCC)ccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c1-3-8-7(11(12,13)14)5-6-9(15-8)10(16)17-4-2/h3,5-6H,1,4H2,2H3
InChIKeyDZQCICYLQMLOSE-UHFFFAOYSA-N
XLogP2.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate (CID 69441068) is ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate is C=Cc1nc(C(=O)OCC)ccc1C(F)(F)F.
What is the InChIKey of ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is DZQCICYLQMLOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c1-3-8-7(11(12,13)14)5-6-9(15-8)10(16)17-4-2/h3,5-6H,1,4H2,2H3.
What are the key properties of ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate?
ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 245.20 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethenyl-5-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 69441068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).