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

C10H9F3INO3 — CID 134664757

IUPACmethyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C)c(OC(F)(F)F)nc1I
InChIInChI=1S/C10H9F3INO3/c1-5-3-6(4-7(16)17-2)8(14)15-9(5)18-10(11,12)13/h3H,4H2,1-2H3
InChIKeyHZHVXMQIYKCZQL-UHFFFAOYSA-N
MW375.08 g/mol
LogP2.61
Rot. Bonds3

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

methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate (PubChem CID 134664757) has the molecular formula C10H9F3INO3 and a molecular weight of 375.08 g/mol. Its IUPAC name is methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
PubChem CID134664757
Molecular FormulaC10H9F3INO3
Molecular Weight375.08 g/mol
Exact Mass374.96
IUPAC Namemethyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C)c(OC(F)(F)F)nc1I
InChIInChI=1S/C10H9F3INO3/c1-5-3-6(4-7(16)17-2)8(14)15-9(5)18-10(11,12)13/h3H,4H2,1-2H3
InChIKeyHZHVXMQIYKCZQL-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134669964
methyl 2-iodo-5-methyl-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665755
ethyl 2-[5-(fluoromethyl)-2-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681321
2-[6-iodo-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134659895
methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085541
methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133085573
methyl 2-[5-hydroxy-2-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134658771
methyl 6-iodo-5-methyl-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134665753
methyl 2-[5-methoxy-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679933
ethyl 2-[3-iodo-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665864
methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134663047
methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134662195

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate (CID 134664757) is methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate is COC(=O)Cc1cc(C)c(OC(F)(F)F)nc1I.
What is the InChIKey of methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate?
The InChIKey is HZHVXMQIYKCZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO3/c1-5-3-6(4-7(16)17-2)8(14)15-9(5)18-10(11,12)13/h3H,4H2,1-2H3.
What are the key properties of methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate?
methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-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-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 134664757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).