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

C11H10F5NO2 — CID 171029252

IUPACmethyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(C(F)(F)F)nc1C
InChIInChI=1S/C11H10F5NO2/c1-5-6(4-8(18)19-2)3-7(10(12)13)9(17-5)11(14,15)16/h3,10H,4H2,1-2H3
InChIKeyKHUUAZXMCIEPKA-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.06
Rot. Bonds3

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

methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate (PubChem CID 171029252) has the molecular formula C11H10F5NO2 and a molecular weight of 283.20 g/mol. Its IUPAC name is methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate
PubChem CID171029252
Molecular FormulaC11H10F5NO2
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC Namemethyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)F)c(C(F)(F)F)nc1C
InChIInChI=1S/C11H10F5NO2/c1-5-6(4-8(18)19-2)3-7(10(12)13)9(17-5)11(14,15)16/h3,10H,4H2,1-2H3
InChIKeyKHUUAZXMCIEPKA-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 171029223
methyl 2-[5-(difluoromethyl)-2-iodo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100717
methyl 2-[3-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133086990
methyl 2-[5-(difluoromethyl)-2-iodo-6-methyl-3-pyridinyl]acetate
CID 133101939
methyl 2-[3-(difluoromethyl)-6-methyl-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029249
methyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133103275
5-(difluoromethyl)-3-methoxy-2-methyl-6-(trifluoromethyl)pyridine
CID 133100071
methyl 2-[6-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100111
ethyl 2-[5-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133100169
methyl 2-[4-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029773
methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 171029463
methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133104001

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate (CID 171029252) is methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate is COC(=O)Cc1cc(C(F)F)c(C(F)(F)F)nc1C.
What is the InChIKey of methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate?
The InChIKey is KHUUAZXMCIEPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO2/c1-5-6(4-8(18)19-2)3-7(10(12)13)9(17-5)11(14,15)16/h3,10H,4H2,1-2H3.
What are the key properties of methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate?
methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate has a molecular weight of 283.20 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(difluoromethyl)-2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 171029252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).