N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C10H11F3N2O2 — CID 2727209

IUPACN,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O2/c1-15(2)9(16)7-3-4-8(14-5-7)17-6-10(11,12)13/h3-5H,6H2,1-2H3
InChIKeyPYYMNCUXCHZOAT-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.72
Rot. Bonds3

About N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 2727209) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID2727209
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC NameN,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C10H11F3N2O2/c1-15(2)9(16)7-3-4-8(14-5-7)17-6-10(11,12)13/h3-5H,6H2,1-2H3
InChIKeyPYYMNCUXCHZOAT-UHFFFAOYSA-N
XLogP1.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 2727209) is N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CN(C)C(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is PYYMNCUXCHZOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-15(2)9(16)7-3-4-8(14-5-7)17-6-10(11,12)13/h3-5H,6H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 248.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 2727209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).