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

C11H10F5NO3 — CID 133099465

IUPACmethyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F5NO3/c1-19-7-3-5(10(12)13)9(11(14,15)16)6(17-7)4-8(18)20-2/h3,10H,4H2,1-2H3
InChIKeyRAMPFXYXLOYIHI-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.76
Rot. Bonds4

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

methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 133099465) has the molecular formula C11H10F5NO3 and a molecular weight of 299.20 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID133099465
Molecular FormulaC11H10F5NO3
Molecular Weight299.20 g/mol
Exact Mass299.06
IUPAC Namemethyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1nc(OC)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C11H10F5NO3/c1-19-7-3-5(10(12)13)9(11(14,15)16)6(17-7)4-8(18)20-2/h3,10H,4H2,1-2H3
InChIKeyRAMPFXYXLOYIHI-UHFFFAOYSA-N
XLogP2.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(difluoromethyl)-6-methoxy-3-(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-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029773
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 133099017
4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118834996
methyl 2-[4-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134667633
methyl 2-[5-(difluoromethyl)-4-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029227
methyl 2-[3-(difluoromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029249
methyl 2-[3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086990
methyl 2-[6-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134668453
methyl 2-[3-bromo-4-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 134674876
methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680669
methyl 2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029600
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate (CID 133099465) is methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1nc(OC)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is RAMPFXYXLOYIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO3/c1-19-7-3-5(10(12)13)9(11(14,15)16)6(17-7)4-8(18)20-2/h3,10H,4H2,1-2H3.
What are the key properties of methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 299.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 133099465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).