methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate

C11H11F4NO3 — CID 178173662

IUPACmethyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCc1nc(F)c(C(F)(F)F)c(OC)c1C(=O)OC
InChIInChI=1S/C11H11F4NO3/c1-4-5-6(10(17)19-3)8(18-2)7(9(12)16-5)11(13,14)15/h4H2,1-3H3
InChIKeyNXTZUJBNHICVDJ-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.60
Rot. Bonds3

About methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 178173662) has the molecular formula C11H11F4NO3 and a molecular weight of 281.20 g/mol. Its IUPAC name is methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID178173662
Molecular FormulaC11H11F4NO3
Molecular Weight281.20 g/mol
Exact Mass281.07
IUPAC Namemethyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCc1nc(F)c(C(F)(F)F)c(OC)c1C(=O)OC
InChIInChI=1S/C11H11F4NO3/c1-4-5-6(10(17)19-3)8(18-2)7(9(12)16-5)11(13,14)15/h4H2,1-3H3
InChIKeyNXTZUJBNHICVDJ-UHFFFAOYSA-N
XLogP2.60
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

propyl 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylate
CID 178173663
6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 178173665
benzyl 6-fluoro-4-methoxy-2-methyl-5-(trifluoromethyl)pyridine-3-carboxylate
CID 178173657
methyl 2-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)pyridine-4-carboxylate
CID 133098888
dimethyl 2-(difluoromethyl)-6-ethyl-4-propylpyridine-3,5-dicarboxylate
CID 102268089
4,6-difluoro-2-methoxy-5-(trifluoromethyl)pyrimidine
CID 23235417
methyl 5-methoxy-1-methyl-6-oxo-3-(trifluoromethyl)pyridazine-4-carboxylate
CID 66573383
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543
methyl 3,6-dichloro-2-(trifluoromethyl)benzoate
CID 167314115
methyl 5-bromo-6-(difluoromethyl)-4-ethyl-2-(trifluoromethyl)pyridine-3-carboxylate
CID 15117644
methyl 2-(bromomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134659469
methyl 4-ethyl-6-methylpyrimidine-5-carboxylate
CID 58781568

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate (CID 178173662) is methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate is CCc1nc(F)c(C(F)(F)F)c(OC)c1C(=O)OC.
What is the InChIKey of methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is NXTZUJBNHICVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO3/c1-4-5-6(10(17)19-3)8(18-2)7(9(12)16-5)11(13,14)15/h4H2,1-3H3.
What are the key properties of methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 281.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-6-fluoro-4-methoxy-5-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 178173662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).