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

C10H9F3INO4 — CID 134659057

IUPACethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1c(OC(F)(F)F)cnc(I)c1OC
InChIInChI=1S/C10H9F3INO4/c1-3-18-9(16)6-5(19-10(11,12)13)4-15-8(14)7(6)17-2/h4H,3H2,1-2H3
InChIKeyWUZVIPWAPAAICZ-UHFFFAOYSA-N
MW391.08 g/mol
LogP2.77
Rot. Bonds4

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

ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate (PubChem CID 134659057) has the molecular formula C10H9F3INO4 and a molecular weight of 391.08 g/mol. Its IUPAC name is ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate
PubChem CID134659057
Molecular FormulaC10H9F3INO4
Molecular Weight391.08 g/mol
Exact Mass390.95
IUPAC Nameethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate
SMILESCCOC(=O)c1c(OC(F)(F)F)cnc(I)c1OC
InChIInChI=1S/C10H9F3INO4/c1-3-18-9(16)6-5(19-10(11,12)13)4-15-8(14)7(6)17-2/h4H,3H2,1-2H3
InChIKeyWUZVIPWAPAAICZ-UHFFFAOYSA-N
XLogP2.77
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.08
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-iodo-4-methoxy-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134675689
ethyl 2-(fluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676743
2-iodo-3-methoxy-4-methyl-5-(trifluoromethoxy)pyridine
CID 130112538
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
ethyl 2-methoxy-3-nitro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134670204
ethyl 3-hydroxy-5-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134665109
methyl 2-iodo-4-methyl-5-(trifluoromethoxy)pyridine-3-carboxylate
CID 134679080
ethyl 2-(bromomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663020
ethyl 3-(aminomethyl)-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134682897
ethyl 2-(difluoromethyl)-3-hydroxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134677712
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
ethyl 5-methoxy-2-nitro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670328

Frequently Asked Questions

What is the IUPAC name of ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate?
The IUPAC name of ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate (CID 134659057) is ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate is CCOC(=O)c1c(OC(F)(F)F)cnc(I)c1OC.
What is the InChIKey of ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate?
The InChIKey is WUZVIPWAPAAICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO4/c1-3-18-9(16)6-5(19-10(11,12)13)4-15-8(14)7(6)17-2/h4H,3H2,1-2H3.
What are the key properties of ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate?
ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate has a molecular weight of 391.08 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-iodo-3-methoxy-5-(trifluoromethoxy)pyridine-4-carboxylate is sourced from PubChem (CID 134659057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).