6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C9H9F3N2O — CID 10013611

IUPAC6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O/c1-6-2-3-7(4-13-6)8(15)14-5-9(10,11)12/h2-4H,5H2,1H3,(H,14,15)
InChIKeyQAJNANQELAYNQX-UHFFFAOYSA-N
MW218.18 g/mol
LogP1.68
Rot. Bonds2

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

6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 10013611) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID10013611
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O/c1-6-2-3-7(4-13-6)8(15)14-5-9(10,11)12/h2-4H,5H2,1H3,(H,14,15)
InChIKeyQAJNANQELAYNQX-UHFFFAOYSA-N
XLogP1.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
N-(2-amino-2-ethylbutyl)-6-methylpyridine-3-carboxamide;dihydrochloride
CID 119641996
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-[2-(aminomethyl)-2-ethylbutyl]-6-methylpyridine-3-carboxamide
CID 114164010
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81340039
ethane;4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 145192130
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-(2-ethylbutyl)-6-methylpyridine-3-carboxamide
CID 115612931

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 10013611) is 6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCC(F)(F)F)cn1.
What is the InChIKey of 6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is QAJNANQELAYNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-6-2-3-7(4-13-6)8(15)14-5-9(10,11)12/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 218.18 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 10013611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).