5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C10H11F3N2O2 — CID 90102182

IUPAC5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(N)=O)c(C)nc1CC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-5-6(9(14)16)3-8(17-2)7(15-5)4-10(11,12)13/h3H,4H2,1-2H3,(H2,14,16)
InChIKeyPDIMGAGUXHJJLP-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.60
Rot. Bonds3

About 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 90102182) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID90102182
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(N)=O)c(C)nc1CC(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-5-6(9(14)16)3-8(17-2)7(15-5)4-10(11,12)13/h3H,4H2,1-2H3,(H2,14,16)
InChIKeyPDIMGAGUXHJJLP-UHFFFAOYSA-N
XLogP1.60
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 90102182) is 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is COc1cc(C(N)=O)c(C)nc1CC(F)(F)F.
What is the InChIKey of 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is PDIMGAGUXHJJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5-6(9(14)16)3-8(17-2)7(15-5)4-10(11,12)13/h3H,4H2,1-2H3,(H2,14,16).
What are the key properties of 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 248.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-6-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90102182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).