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

C16H14F3NO2 — CID 67072318

IUPACmethyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C16H14F3NO2/c1-10-12(9-15(21)22-2)5-8-14(20-10)11-3-6-13(7-4-11)16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyGDFPWWRBLZMTJX-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.79
Rot. Bonds3

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

methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate (PubChem CID 67072318) has the molecular formula C16H14F3NO2 and a molecular weight of 309.29 g/mol. Its IUPAC name is methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate
PubChem CID67072318
Molecular FormulaC16H14F3NO2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Namemethyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1C
InChIInChI=1S/C16H14F3NO2/c1-10-12(9-15(21)22-2)5-8-14(20-10)11-3-6-13(7-4-11)16(17,18)19/h3-8H,9H2,1-2H3
InChIKeyGDFPWWRBLZMTJX-UHFFFAOYSA-N
XLogP3.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate (CID 67072318) is methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate is COC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2)nc1C.
What is the InChIKey of methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate?
The InChIKey is GDFPWWRBLZMTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2/c1-10-12(9-15(21)22-2)5-8-14(20-10)11-3-6-13(7-4-11)16(17,18)19/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate?
methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate has a molecular weight of 309.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]acetate is sourced from PubChem (CID 67072318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).