methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate

C10H9F3INO3 — CID 134679712

IUPACmethyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(C)c(OC(F)(F)F)c1I
InChIInChI=1S/C10H9F3INO3/c1-5-4-15-6(3-7(16)17-2)8(14)9(5)18-10(11,12)13/h4H,3H2,1-2H3
InChIKeyVJWVQHUNMFWNSS-UHFFFAOYSA-N
MW375.08 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate

methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate (PubChem CID 134679712) has the molecular formula C10H9F3INO3 and a molecular weight of 375.08 g/mol. Its IUPAC name is methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate
PubChem CID134679712
Molecular FormulaC10H9F3INO3
Molecular Weight375.08 g/mol
Exact Mass374.96
IUPAC Namemethyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1ncc(C)c(OC(F)(F)F)c1I
InChIInChI=1S/C10H9F3INO3/c1-5-4-15-6(3-7(16)17-2)8(14)9(5)18-10(11,12)13/h4H,3H2,1-2H3
InChIKeyVJWVQHUNMFWNSS-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-[6-(aminomethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679834
methyl 2-[4-(chloromethyl)-5-iodo-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680024
methyl 2-[4-amino-5-(aminomethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086377
methyl 2-[4-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660761
methyl 2-[5-(aminomethyl)-6-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668820
methyl 2-[6-(fluoromethyl)-4-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677069
methyl 2-[2-(fluoromethyl)-4-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681457
methyl 2-[5-(aminomethyl)-2-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659206
methyl 2-[3-(difluoromethyl)-5-fluoro-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134666514
methyl 2-[5-(bromomethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134682906
methyl 2-[5-hydroxy-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659697
methyl 2-[3-(chloromethyl)-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679506

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate (CID 134679712) is methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate is COC(=O)Cc1ncc(C)c(OC(F)(F)F)c1I.
What is the InChIKey of methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate?
The InChIKey is VJWVQHUNMFWNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO3/c1-5-4-15-6(3-7(16)17-2)8(14)9(5)18-10(11,12)13/h4H,3H2,1-2H3.
What are the key properties of methyl 2-[3-iodo-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate?
methyl 2-[3-iodo-5-methyl-4-(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-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 134679712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).