ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate

C10H6F6INO3 — CID 134679532

IUPACethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)nc(I)c1C(F)(F)F
InChIInChI=1S/C10H6F6INO3/c1-2-20-8(19)4-3-5(21-10(14,15)16)18-7(17)6(4)9(11,12)13/h3H,2H2,1H3
InChIKeyWMGPGURLTFCTEU-UHFFFAOYSA-N
MW429.05 g/mol
LogP3.78
Rot. Bonds3

About ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate

ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate (PubChem CID 134679532) has the molecular formula C10H6F6INO3 and a molecular weight of 429.05 g/mol. Its IUPAC name is ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
PubChem CID134679532
Molecular FormulaC10H6F6INO3
Molecular Weight429.05 g/mol
Exact Mass428.93
IUPAC Nameethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(OC(F)(F)F)nc(I)c1C(F)(F)F
InChIInChI=1S/C10H6F6INO3/c1-2-20-8(19)4-3-5(21-10(14,15)16)18-7(17)6(4)9(11,12)13/h3H,2H2,1H3
InChIKeyWMGPGURLTFCTEU-UHFFFAOYSA-N
XLogP3.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.05
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-hydroxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667290
ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344
ethyl 3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134667861
ethyl 2-(bromomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665879
ethyl 2-(fluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-4-carboxylate
CID 134682047
ethyl 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134676389
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932
ethyl 4-amino-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087422
ethyl 5-bromo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 171029018
ethyl 3-amino-6-cyano-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096589
ethyl 5-(bromomethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134676575
ethyl 3-amino-5-fluoro-2-(trifluoromethyl)benzoate
CID 171029836

Frequently Asked Questions

What is the IUPAC name of ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate (CID 134679532) is ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate is CCOC(=O)c1cc(OC(F)(F)F)nc(I)c1C(F)(F)F.
What is the InChIKey of ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate?
The InChIKey is WMGPGURLTFCTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6INO3/c1-2-20-8(19)4-3-5(21-10(14,15)16)18-7(17)6(4)9(11,12)13/h3H,2H2,1H3.
What are the key properties of ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate?
ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate has a molecular weight of 429.05 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate is sourced from PubChem (CID 134679532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).