methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate

C14H10F3NO3 — CID 10357255

IUPACmethyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)c[nH]c1=O
InChIInChI=1S/C14H10F3NO3/c1-21-13(20)11-6-9(7-18-12(11)19)8-3-2-4-10(5-8)14(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyVYSIZUXORUMPOR-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.85
Rot. Bonds2

About methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate

methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate (PubChem CID 10357255) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
PubChem CID10357255
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Namemethyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)c[nH]c1=O
InChIInChI=1S/C14H10F3NO3/c1-21-13(20)11-6-9(7-18-12(11)19)8-3-2-4-10(5-8)14(15,16)17/h2-7H,1H3,(H,18,19)
InChIKeyVYSIZUXORUMPOR-UHFFFAOYSA-N
XLogP2.85
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate (CID 10357255) is methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate is COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)c[nH]c1=O.
What is the InChIKey of methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate?
The InChIKey is VYSIZUXORUMPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-21-13(20)11-6-9(7-18-12(11)19)8-3-2-4-10(5-8)14(15,16)17/h2-7H,1H3,(H,18,19).
What are the key properties of methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate?
methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate has a molecular weight of 297.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylate is sourced from PubChem (CID 10357255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).