methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate

C9H7F3INO4 — CID 134660175

IUPACmethyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(I)c(OC)nc1OC(F)(F)F
InChIInChI=1S/C9H7F3INO4/c1-16-7-5(13)3-4(8(15)17-2)6(14-7)18-9(10,11)12/h3H,1-2H3
InChIKeyDXRUJAJHUUNZFR-UHFFFAOYSA-N
MW377.06 g/mol
LogP2.38
Rot. Bonds3

About methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate

methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134660175) has the molecular formula C9H7F3INO4 and a molecular weight of 377.06 g/mol. Its IUPAC name is methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134660175
Molecular FormulaC9H7F3INO4
Molecular Weight377.06 g/mol
Exact Mass376.94
IUPAC Namemethyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(I)c(OC)nc1OC(F)(F)F
InChIInChI=1S/C9H7F3INO4/c1-16-7-5(13)3-4(8(15)17-2)6(14-7)18-9(10,11)12/h3H,1-2H3
InChIKeyDXRUJAJHUUNZFR-UHFFFAOYSA-N
XLogP2.38
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.06
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-iodo-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659054
methyl 5-iodo-6-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664730
methyl 6-iodo-5-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665753
methyl 5-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681784
methyl 2-iodo-5-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665755
methyl 5-(chloromethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663471
methyl 5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663610
methyl 5-methoxy-2-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134670013
methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134679196
methyl 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668977
methyl 6-bromo-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028986
methyl 3-(bromomethyl)-6-iodo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134662859

Frequently Asked Questions

What is the IUPAC name of methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate (CID 134660175) is methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate is COC(=O)c1cc(I)c(OC)nc1OC(F)(F)F.
What is the InChIKey of methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is DXRUJAJHUUNZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO4/c1-16-7-5(13)3-4(8(15)17-2)6(14-7)18-9(10,11)12/h3H,1-2H3.
What are the key properties of methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate?
methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 377.06 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-iodo-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134660175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).