methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate

C10H8F4INO3 — CID 134663047

IUPACmethyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CF)c(I)c(OC(F)(F)F)n1
InChIInChI=1S/C10H8F4INO3/c1-18-7(17)3-6-2-5(4-11)8(15)9(16-6)19-10(12,13)14/h2H,3-4H2,1H3
InChIKeyWAYHXQHGXHHKNW-UHFFFAOYSA-N
MW393.07 g/mol
LogP2.77
Rot. Bonds4

About methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate

methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate (PubChem CID 134663047) has the molecular formula C10H8F4INO3 and a molecular weight of 393.07 g/mol. Its IUPAC name is methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
PubChem CID134663047
Molecular FormulaC10H8F4INO3
Molecular Weight393.07 g/mol
Exact Mass392.95
IUPAC Namemethyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(CF)c(I)c(OC(F)(F)F)n1
InChIInChI=1S/C10H8F4INO3/c1-18-7(17)3-6-2-5(4-11)8(15)9(16-6)19-10(12,13)14/h2H,3-4H2,1H3
InChIKeyWAYHXQHGXHHKNW-UHFFFAOYSA-N
XLogP2.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.07
LogP ≤ 52.77
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)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134671474
methyl 2-[2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134669964
methyl 2-[2-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134664757
methyl 2-[6-(aminomethyl)-4-fluoro-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134662110
2-[5-fluoro-4-(fluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134677319
methyl 2-[6-(aminomethyl)-5-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085541
methyl 2-[5-amino-3-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086099
ethyl 2-[6-(fluoromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134662016
methyl 2-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097135
ethyl 2-[4-(aminomethyl)-5-fluoro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134658943
methyl 2-[5-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133085573
ethyl 2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086133

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate (CID 134663047) is methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate is COC(=O)Cc1cc(CF)c(I)c(OC(F)(F)F)n1.
What is the InChIKey of methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate?
The InChIKey is WAYHXQHGXHHKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4INO3/c1-18-7(17)3-6-2-5(4-11)8(15)9(16-6)19-10(12,13)14/h2H,3-4H2,1H3.
What are the key properties of methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate?
methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate has a molecular weight of 393.07 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(fluoromethyl)-5-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate is sourced from PubChem (CID 134663047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).