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

C11H9F6NO4 — CID 134668453

IUPACmethyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC)cc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C11H9F6NO4/c1-20-7-3-5(10(12,13)14)9(22-11(15,16)17)6(18-7)4-8(19)21-2/h3H,4H2,1-2H3
InChIKeyHNJUZMPYPXFVBZ-UHFFFAOYSA-N
MW333.18 g/mol
LogP2.72
Rot. Bonds4

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

methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 134668453) has the molecular formula C11H9F6NO4 and a molecular weight of 333.18 g/mol. Its IUPAC name is methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID134668453
Molecular FormulaC11H9F6NO4
Molecular Weight333.18 g/mol
Exact Mass333.04
IUPAC Namemethyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC)cc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C11H9F6NO4/c1-20-7-3-5(10(12,13)14)9(22-11(15,16)17)6(18-7)4-8(19)21-2/h3H,4H2,1-2H3
InChIKeyHNJUZMPYPXFVBZ-UHFFFAOYSA-N
XLogP2.72
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.18
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-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-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680669
methyl 2-[3-(chloromethyl)-6-methoxy-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682639
methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133099465
methyl 2-[3-hydroxy-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134666003
methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 134667295
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
methyl 2-[2-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134669964
methyl 2-[3-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134662195
methyl 2-[4-methoxy-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134668272
ethyl 2-[3-methoxy-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681853
4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine
CID 118818475
[6-bromo-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133087725

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate (CID 134668453) is methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(OC)cc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is HNJUZMPYPXFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F6NO4/c1-20-7-3-5(10(12,13)14)9(22-11(15,16)17)6(18-7)4-8(19)21-2/h3H,4H2,1-2H3.
What are the key properties of methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 333.18 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134668453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).