methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate

C10H9F3INO4 — CID 134680669

IUPACmethyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC)cc(I)c1OC(F)(F)F
InChIInChI=1S/C10H9F3INO4/c1-17-7-3-5(14)9(19-10(11,12)13)6(15-7)4-8(16)18-2/h3H,4H2,1-2H3
InChIKeyDMCYEPVEZFOBPO-UHFFFAOYSA-N
MW391.08 g/mol
LogP2.31
Rot. Bonds4

About methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate

methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate (PubChem CID 134680669) has the molecular formula C10H9F3INO4 and a molecular weight of 391.08 g/mol. Its IUPAC name is methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
PubChem CID134680669
Molecular FormulaC10H9F3INO4
Molecular Weight391.08 g/mol
Exact Mass390.95
IUPAC Namemethyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC)cc(I)c1OC(F)(F)F
InChIInChI=1S/C10H9F3INO4/c1-17-7-3-5(14)9(19-10(11,12)13)6(15-7)4-8(16)18-2/h3H,4H2,1-2H3
InChIKeyDMCYEPVEZFOBPO-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134668453
methyl 2-[3-(chloromethyl)-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682639
methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134662195
methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133099465
ethyl 2-[2-iodo-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134664656
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679712
methyl 2-[4-(chloromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680024
ethyl 2-[6-iodo-4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134661495
4-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131312152
methyl 2-[2-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679997
methyl 2-[4-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660761

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate (CID 134680669) is methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate is COC(=O)Cc1nc(OC)cc(I)c1OC(F)(F)F.
What is the InChIKey of methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate?
The InChIKey is DMCYEPVEZFOBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO4/c1-17-7-3-5(14)9(19-10(11,12)13)6(15-7)4-8(16)18-2/h3H,4H2,1-2H3.
What are the key properties of methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate?
methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate has a molecular weight of 391.08 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 134680669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).