methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate

C15H11ClF3NO2 — CID 67025389

IUPACmethyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)c(Cl)c1C
InChIInChI=1S/C15H11ClF3NO2/c1-8-12(16)11(7-20-13(8)14(21)22-2)9-4-3-5-10(6-9)15(17,18)19/h3-7H,1-2H3
InChIKeyHLFZSUKJVTXWEF-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.52
Rot. Bonds2

About methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate

methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate (PubChem CID 67025389) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
PubChem CID67025389
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC Namemethyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)c(Cl)c1C
InChIInChI=1S/C15H11ClF3NO2/c1-8-12(16)11(7-20-13(8)14(21)22-2)9-4-3-5-10(6-9)15(17,18)19/h3-7H,1-2H3
InChIKeyHLFZSUKJVTXWEF-UHFFFAOYSA-N
XLogP4.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate (CID 67025389) is methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate is COC(=O)c1ncc(-c2cccc(C(F)(F)F)c2)c(Cl)c1C.
What is the InChIKey of methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
The InChIKey is HLFZSUKJVTXWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c1-8-12(16)11(7-20-13(8)14(21)22-2)9-4-3-5-10(6-9)15(17,18)19/h3-7H,1-2H3.
What are the key properties of methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate?
methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate has a molecular weight of 329.71 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 67025389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).