ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate

C14H16F3NO3 — CID 106212313

IUPACethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(C2(C(F)(F)F)CC2)c1C
InChIInChI=1S/C14H16F3NO3/c1-4-21-12(20)11-8(2)7-10(19)18(9(11)3)13(5-6-13)14(15,16)17/h7H,4-6H2,1-3H3
InChIKeyILEADGDYYITINR-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.69
Rot. Bonds3

About ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate

ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate (PubChem CID 106212313) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate
PubChem CID106212313
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Nameethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n(C2(C(F)(F)F)CC2)c1C
InChIInChI=1S/C14H16F3NO3/c1-4-21-12(20)11-8(2)7-10(19)18(9(11)3)13(5-6-13)14(15,16)17/h7H,4-6H2,1-3H3
InChIKeyILEADGDYYITINR-UHFFFAOYSA-N
XLogP2.69
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2,3-dimethylbutyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 64599477
ethyl 1-(3,3-dimethylbutan-2-yl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 104829792
ethyl 2,4-dimethyl-6-oxo-1-(thian-2-ylmethyl)pyridine-3-carboxylate
CID 80610006
ethyl 2,4-dimethyl-6-oxo-1-(2-propan-2-yloxyethyl)pyridine-3-carboxylate
CID 104765324
ethyl 5-amino-2-ethyl-1-[1-(trifluoromethyl)cyclopropyl]imidazole-4-carboxylate
CID 106211501
ethyl 2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxylate
CID 156700542
ethyl 1-(2-cyanophenyl)-2,4-dimethyl-6-oxopyridine-3-carboxylate
CID 11500328
ethyl 4-hydroxy-2-methyl-6-oxo-1-propylpyridine-3-carboxylate
CID 58307485
ethyl 6-[chloro(difluoro)methyl]-2,4-dimethylpyridine-3-carboxylate
CID 165455745
ethyl 4-hydroxy-3-iodo-6-methyl-2-(trifluoromethyl)benzoate
CID 134907693
ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68683222
ethyl 3-chloro-2,5,6-trifluorobenzoate
CID 134644179

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate (CID 106212313) is ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate is CCOC(=O)c1c(C)cc(=O)n(C2(C(F)(F)F)CC2)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate?
The InChIKey is ILEADGDYYITINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-4-21-12(20)11-8(2)7-10(19)18(9(11)3)13(5-6-13)14(15,16)17/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate?
ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate has a molecular weight of 303.28 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-6-oxo-1-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxylate is sourced from PubChem (CID 106212313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).