methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate

C10H6F7NO3 — CID 134664855

IUPACmethyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC(F)(F)F)nc(C(F)(F)F)c1F
InChIInChI=1S/C10H6F7NO3/c1-20-6(19)3-4-2-5(21-10(15,16)17)18-8(7(4)11)9(12,13)14/h2H,3H2,1H3
InChIKeyVIMDLKHDSHIHHZ-UHFFFAOYSA-N
MW321.15 g/mol
LogP2.85
Rot. Bonds3

About methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate

methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate (PubChem CID 134664855) has the molecular formula C10H6F7NO3 and a molecular weight of 321.15 g/mol. Its IUPAC name is methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate
PubChem CID134664855
Molecular FormulaC10H6F7NO3
Molecular Weight321.15 g/mol
Exact Mass321.02
IUPAC Namemethyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC(F)(F)F)nc(C(F)(F)F)c1F
InChIInChI=1S/C10H6F7NO3/c1-20-6(19)3-4-2-5(21-10(15,16)17)18-8(7(4)11)9(12,13)14/h2H,3H2,1H3
InChIKeyVIMDLKHDSHIHHZ-UHFFFAOYSA-N
XLogP2.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3-nitro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 133087641
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
2-[4-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671599
methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668160
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394
4-(difluoromethyl)-3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665522
[3-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134670747
[3-(bromomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 134679011
methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134672737
methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134668453
methyl 2-[2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134669964
methyl 2-[4-methoxy-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668272

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate (CID 134664855) is methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate is COC(=O)Cc1cc(OC(F)(F)F)nc(C(F)(F)F)c1F.
What is the InChIKey of methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate?
The InChIKey is VIMDLKHDSHIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F7NO3/c1-20-6(19)3-4-2-5(21-10(15,16)17)18-8(7(4)11)9(12,13)14/h2H,3H2,1H3.
What are the key properties of methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate?
methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate has a molecular weight of 321.15 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 134664855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).