dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate

C15H17F4NO4 — CID 11035521

IUPACdimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(CF)nc(C(F)(F)F)c(C(=O)OC)c1CC(C)C
InChIInChI=1S/C15H17F4NO4/c1-7(2)5-8-10(13(21)23-3)9(6-16)20-12(15(17,18)19)11(8)14(22)24-4/h7H,5-6H2,1-4H3
InChIKeyYATCJUPUZMCVMY-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.34
Rot. Bonds5

About dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate

dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate (PubChem CID 11035521) has the molecular formula C15H17F4NO4 and a molecular weight of 351.30 g/mol. Its IUPAC name is dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
PubChem CID11035521
Molecular FormulaC15H17F4NO4
Molecular Weight351.30 g/mol
Exact Mass351.11
IUPAC Namedimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(CF)nc(C(F)(F)F)c(C(=O)OC)c1CC(C)C
InChIInChI=1S/C15H17F4NO4/c1-7(2)5-8-10(13(21)23-3)9(6-16)20-12(15(17,18)19)11(8)14(22)24-4/h7H,5-6H2,1-4H3
InChIKeyYATCJUPUZMCVMY-UHFFFAOYSA-N
XLogP3.34
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate (CID 11035521) is dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate is COC(=O)c1c(CF)nc(C(F)(F)F)c(C(=O)OC)c1CC(C)C.
What is the InChIKey of dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate?
The InChIKey is YATCJUPUZMCVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO4/c1-7(2)5-8-10(13(21)23-3)9(6-16)20-12(15(17,18)19)11(8)14(22)24-4/h7H,5-6H2,1-4H3.
What are the key properties of dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate?
dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate has a molecular weight of 351.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(fluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,5-dicarboxylate is sourced from PubChem (CID 11035521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).