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

C9H9F3N2O2 — CID 81340039

IUPAC6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NOCC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O2/c1-6-2-3-7(4-13-6)8(15)14-16-5-9(10,11)12/h2-4H,5H2,1H3,(H,14,15)
InChIKeyCBGQTNANBUBSLN-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.61
Rot. Bonds3

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

6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 81340039) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID81340039
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NOCC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N2O2/c1-6-2-3-7(4-13-6)8(15)14-16-5-9(10,11)12/h2-4H,5H2,1H3,(H,14,15)
InChIKeyCBGQTNANBUBSLN-UHFFFAOYSA-N
XLogP1.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81343163
6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 10013611
6-methyl-N-phenylmethoxypyridine-3-carboxamide
CID 18149129
6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 82723958
3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 107846996
3-chloro-4-fluoro-N-(2,2,2-trifluoroethoxy)benzamide
CID 81435190
2,2-dimethyl-3-[(6-methylpyridine-3-carbonyl)amino]propanoic acid
CID 81367392
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340679
1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 104822060
N-(2,2,2-trifluoroethoxy)furan-3-carboxamide
CID 81344043

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 81340039) is 6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is Cc1ccc(C(=O)NOCC(F)(F)F)cn1.
What is the InChIKey of 6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is CBGQTNANBUBSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c1-6-2-3-7(4-13-6)8(15)14-16-5-9(10,11)12/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 234.18 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 81340039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).