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

C10H8F5NO2 — CID 171029487

IUPACmethyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)(F)F)cc(C(F)F)n1
InChIInChI=1S/C10H8F5NO2/c1-18-8(17)4-6-2-5(10(13,14)15)3-7(16-6)9(11)12/h2-3,9H,4H2,1H3
InChIKeyLEDAGXFSMYNSQB-UHFFFAOYSA-N
MW269.17 g/mol
LogP2.75
Rot. Bonds3

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

methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 171029487) has the molecular formula C10H8F5NO2 and a molecular weight of 269.17 g/mol. Its IUPAC name is methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID171029487
Molecular FormulaC10H8F5NO2
Molecular Weight269.17 g/mol
Exact Mass269.05
IUPAC Namemethyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCOC(=O)Cc1cc(C(F)(F)F)cc(C(F)F)n1
InChIInChI=1S/C10H8F5NO2/c1-18-8(17)4-6-2-5(10(13,14)15)3-7(16-6)9(11)12/h2-3,9H,4H2,1H3
InChIKeyLEDAGXFSMYNSQB-UHFFFAOYSA-N
XLogP2.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683087
methyl 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133084710
methyl 2-[3-bromo-6-(difluoromethyl)-2-iodo-4-pyridinyl]acetate
CID 134684471
methyl 2-[4-bromo-6-(difluoromethyl)-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 134667633
methyl 2-[6-amino-5-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 134671583
methyl 2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133100700
methyl 2-[2-cyano-6-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133106141
methyl 2-[6-(difluoromethyl)-2-fluoro-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 133104001
methyl 2-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097135
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134664341
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
CID 82575136
methyl 2-[4,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134684328

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate (CID 171029487) is methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate is COC(=O)Cc1cc(C(F)(F)F)cc(C(F)F)n1.
What is the InChIKey of methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is LEDAGXFSMYNSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO2/c1-18-8(17)4-6-2-5(10(13,14)15)3-7(16-6)9(11)12/h2-3,9H,4H2,1H3.
What are the key properties of methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate?
methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 269.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(difluoromethyl)-4-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 171029487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).