(2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide

C8H9F3N2O — CID 175749172

IUPAC(2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
SMILESCN1C(C(F)(F)F)=CC=C[C@H]1C(N)=O
InChIInChI=1S/C8H9F3N2O/c1-13-5(7(12)14)3-2-4-6(13)8(9,10)11/h2-5H,1H3,(H2,12,14)/t5-/m0/s1
InChIKeyRKDZYHSYSUOTTH-YFKPBYRVSA-N
MW206.17 g/mol
LogP0.79
Rot. Bonds1

About (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide

(2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide (PubChem CID 175749172) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
PubChem CID175749172
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name(2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide
SMILESCN1C(C(F)(F)F)=CC=C[C@H]1C(N)=O
InChIInChI=1S/C8H9F3N2O/c1-13-5(7(12)14)3-2-4-6(13)8(9,10)11/h2-5H,1H3,(H2,12,14)/t5-/m0/s1
InChIKeyRKDZYHSYSUOTTH-YFKPBYRVSA-N
XLogP0.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide (CID 175749172) is (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide is CN1C(C(F)(F)F)=CC=C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide?
The InChIKey is RKDZYHSYSUOTTH-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-13-5(7(12)14)3-2-4-6(13)8(9,10)11/h2-5H,1H3,(H2,12,14)/t5-/m0/s1.
What are the key properties of (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide?
(2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide has a molecular weight of 206.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-6-(trifluoromethyl)-2H-pyridine-2-carboxamide is sourced from PubChem (CID 175749172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).