ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate

C10H8F4INO3 — CID 134676743

IUPACethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1c(OC(F)(F)F)cnc(CF)c1I
InChIInChI=1S/C10H8F4INO3/c1-2-18-9(17)7-6(19-10(12,13)14)4-16-5(3-11)8(7)15/h4H,2-3H2,1H3
InChIKeyPLXGFPYWHNFSEY-UHFFFAOYSA-N
MW393.07 g/mol
LogP3.23
Rot. Bonds4

About ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate

ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate (PubChem CID 134676743) has the molecular formula C10H8F4INO3 and a molecular weight of 393.07 g/mol. Its IUPAC name is ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate
PubChem CID134676743
Molecular FormulaC10H8F4INO3
Molecular Weight393.07 g/mol
Exact Mass392.95
IUPAC Nameethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1c(OC(F)(F)F)cnc(CF)c1I
InChIInChI=1S/C10H8F4INO3/c1-2-18-9(17)7-6(19-10(12,13)14)4-16-5(3-11)8(7)15/h4H,2-3H2,1H3
InChIKeyPLXGFPYWHNFSEY-UHFFFAOYSA-N
XLogP3.23
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.07
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134659057
ethyl 3-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134682897
methyl 3-iodo-2-methyl-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134666957
ethyl 2-(difluoromethyl)-3-hydroxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134677712
ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087391
ethyl 2-methyl-4-nitro-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134662332
ethyl 2-(bromomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663020
methyl 2-[2-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681457
ethyl 2-[3-(bromomethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134667724
ethyl 2-[3-(chloromethyl)-4-iodo-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134660056
ethyl 6-(chloromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679962
ethyl 2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134670204

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate (CID 134676743) is ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate is CCOC(=O)c1c(OC(F)(F)F)cnc(CF)c1I.
What is the InChIKey of ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate?
The InChIKey is PLXGFPYWHNFSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4INO3/c1-2-18-9(17)7-6(19-10(12,13)14)4-16-5(3-11)8(7)15/h4H,2-3H2,1H3.
What are the key properties of ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate?
ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate has a molecular weight of 393.07 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 134676743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).