methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate

C10H9F3N2O3 — CID 59354914

IUPACmethyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCC(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O3/c1-18-9(17)6-2-3-7(14-4-6)8(16)15-5-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)
InChIKeyUSQXVYWKRSJESL-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.16
Rot. Bonds3

About methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate

methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate (PubChem CID 59354914) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate
PubChem CID59354914
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Namemethyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NCC(F)(F)F)nc1
InChIInChI=1S/C10H9F3N2O3/c1-18-9(17)6-2-3-7(14-4-6)8(16)15-5-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)
InChIKeyUSQXVYWKRSJESL-UHFFFAOYSA-N
XLogP1.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate (CID 59354914) is methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)NCC(F)(F)F)nc1.
What is the InChIKey of methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate?
The InChIKey is USQXVYWKRSJESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c1-18-9(17)6-2-3-7(14-4-6)8(16)15-5-10(11,12)13/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate?
methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate has a molecular weight of 262.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,2,2-trifluoroethylcarbamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 59354914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).