ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate

C10H6F7NO3 — CID 134680125

IUPACethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)c(F)nc1C(F)(F)F
InChIInChI=1S/C10H6F7NO3/c1-2-20-8(19)4-3-5(21-10(15,16)17)7(11)18-6(4)9(12,13)14/h3H,2H2,1H3
InChIKeyBTZTYYUZKSGOAJ-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.31
Rot. Bonds3

About ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 134680125) has the molecular formula C10H6F7NO3 and a molecular weight of 321.15 g/mol. Its IUPAC name is ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID134680125
Molecular FormulaC10H6F7NO3
Molecular Weight321.15 g/mol
Exact Mass321.02
IUPAC Nameethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)c(F)nc1C(F)(F)F
InChIInChI=1S/C10H6F7NO3/c1-2-20-8(19)4-3-5(21-10(15,16)17)7(11)18-6(4)9(12,13)14/h3H,2H2,1H3
InChIKeyBTZTYYUZKSGOAJ-UHFFFAOYSA-N
XLogP3.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.31
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

ethyl 2-(bromomethyl)-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134668756
ethyl 2-methoxy-5-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134679137
ethyl 2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 133085466
ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
ethyl 2-(bromomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665879
ethyl 6-amino-5-iodo-2-(trifluoromethyl)pyridine-3-carboxylate
CID 118275238
ethyl 7-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224642
ethyl 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677568
ethyl 8-fluoro-2-(trifluoromethyl)quinoline-3-carboxylate
CID 169224649
ethyl 5-(bromomethyl)-2-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134682872
ethyl 2-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668134
ethyl 3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667861

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate (CID 134680125) is ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate is CCOC(=O)c1cc(OC(F)(F)F)c(F)nc1C(F)(F)F.
What is the InChIKey of ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is BTZTYYUZKSGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F7NO3/c1-2-20-8(19)4-3-5(21-10(15,16)17)7(11)18-6(4)9(12,13)14/h3H,2H2,1H3.
What are the key properties of ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate?
ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 321.15 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134680125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).