methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate

C11H10F5NO4 — CID 134681746

IUPACmethyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC(F)(F)F)c(OC)nc1C(F)F
InChIInChI=1S/C11H10F5NO4/c1-19-7(18)4-5-3-6(21-11(14,15)16)10(20-2)17-8(5)9(12)13/h3,9H,4H2,1-2H3
InChIKeyDAIYJFOBDSYHOZ-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate

methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate (PubChem CID 134681746) has the molecular formula C11H10F5NO4 and a molecular weight of 315.19 g/mol. Its IUPAC name is methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
PubChem CID134681746
Molecular FormulaC11H10F5NO4
Molecular Weight315.19 g/mol
Exact Mass315.05
IUPAC Namemethyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(OC(F)(F)F)c(OC)nc1C(F)F
InChIInChI=1S/C11H10F5NO4/c1-19-7(18)4-5-3-6(21-11(14,15)16)10(20-2)17-8(5)9(12)13/h3,9H,4H2,1-2H3
InChIKeyDAIYJFOBDSYHOZ-UHFFFAOYSA-N
XLogP2.64
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate with MolForge

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Related Compounds

methyl 2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134681738
methyl 2-[2-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134666504
methyl 2-[6-(bromomethyl)-2-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663640
methyl 2-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
methyl 2-[2-(difluoromethyl)-5-methoxy-6-methyl-3-pyridinyl]acetate
CID 133100381
methyl 2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668956
methyl 2-[2-(difluoromethyl)-6-iodo-5-methoxy-3-pyridinyl]acetate
CID 133102034
2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118815182
methyl 2-[5-(chloromethyl)-6-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099114
methyl 2-[6-(difluoromethyl)-2-methoxy-5-methyl-3-pyridinyl]acetate
CID 133100382
methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677228
methyl 2-[2-methoxy-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660556

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate (CID 134681746) is methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate is COC(=O)Cc1cc(OC(F)(F)F)c(OC)nc1C(F)F.
What is the InChIKey of methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate?
The InChIKey is DAIYJFOBDSYHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO4/c1-19-7(18)4-5-3-6(21-11(14,15)16)10(20-2)17-8(5)9(12)13/h3,9H,4H2,1-2H3.
What are the key properties of methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate?
methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate has a molecular weight of 315.19 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetate is sourced from PubChem (CID 134681746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).