methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate

C10H9F3INO3 — CID 134662195

IUPACmethyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C)c(OC(F)(F)F)cc1I
InChIInChI=1S/C10H9F3INO3/c1-5-8(18-10(11,12)13)3-6(14)7(15-5)4-9(16)17-2/h3H,4H2,1-2H3
InChIKeyPDRWISFUTJABPA-UHFFFAOYSA-N
MW375.08 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate

methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate (PubChem CID 134662195) has the molecular formula C10H9F3INO3 and a molecular weight of 375.08 g/mol. Its IUPAC name is methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
PubChem CID134662195
Molecular FormulaC10H9F3INO3
Molecular Weight375.08 g/mol
Exact Mass374.96
IUPAC Namemethyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(C)c(OC(F)(F)F)cc1I
InChIInChI=1S/C10H9F3INO3/c1-5-8(18-10(11,12)13)3-6(14)7(15-5)4-9(16)17-2/h3H,4H2,1-2H3
InChIKeyPDRWISFUTJABPA-UHFFFAOYSA-N
XLogP2.61
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.08
LogP ≤ 52.61
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

methyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085558
methyl 2-[2-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679997
methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680669
methyl 2-[2-(fluoromethyl)-6-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134665564
3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine
CID 130112551
methyl 2-[5-methoxy-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679933
ethyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085618
methyl 2-[6-amino-2-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086081
methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134666003
methyl 2-[3-(chloromethyl)-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682639
methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664757
methyl 2-[6-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 133100114

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate (CID 134662195) is methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate is COC(=O)Cc1nc(C)c(OC(F)(F)F)cc1I.
What is the InChIKey of methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate?
The InChIKey is PDRWISFUTJABPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO3/c1-5-8(18-10(11,12)13)3-6(14)7(15-5)4-9(16)17-2/h3H,4H2,1-2H3.
What are the key properties of methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate?
methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate has a molecular weight of 375.08 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 134662195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).