5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid

C9H8F3N3O3 — CID 165482356

IUPAC5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid
SMILESCN(C(=O)C(F)(F)F)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C9H8F3N3O3/c1-15(8(18)9(10,11)12)6-5(7(16)17)2-4(13)3-14-6/h2-3H,13H2,1H3,(H,16,17)
InChIKeyMCOTUBFBAKGSAO-UHFFFAOYSA-N
MW263.17 g/mol
LogP0.89
Rot. Bonds2

About 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid

5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid (PubChem CID 165482356) has the molecular formula C9H8F3N3O3 and a molecular weight of 263.17 g/mol. Its IUPAC name is 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid
PubChem CID165482356
Molecular FormulaC9H8F3N3O3
Molecular Weight263.17 g/mol
Exact Mass263.05
IUPAC Name5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid
SMILESCN(C(=O)C(F)(F)F)c1ncc(N)cc1C(=O)O
InChIInChI=1S/C9H8F3N3O3/c1-15(8(18)9(10,11)12)6-5(7(16)17)2-4(13)3-14-6/h2-3H,13H2,1H3,(H,16,17)
InChIKeyMCOTUBFBAKGSAO-UHFFFAOYSA-N
XLogP0.89
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(2-fluoro-N-methylanilino)pyridine-3-carboxylic acid
CID 114047146
N-(5-amino-2-pyridinyl)-2,2,2-trifluoro-N-methylacetamide
CID 130646725
5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
CID 82482899
5-aminopyridine-2,3-dicarboxylic acid
CID 71695342
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid
CID 114047069
5-amino-2-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
CID 114047100
5-amino-2-ethylpyridine-3-carboxylic acid
CID 84652342
5-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
CID 55011243
5-amino-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxamide
CID 55011059
5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 62000949
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
5-amino-2-[methyl(propyl)amino]pyridine-3-carboxamide
CID 61358399

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid (CID 165482356) is 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid is CN(C(=O)C(F)(F)F)c1ncc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid?
The InChIKey is MCOTUBFBAKGSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O3/c1-15(8(18)9(10,11)12)6-5(7(16)17)2-4(13)3-14-6/h2-3H,13H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid?
5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid has a molecular weight of 263.17 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[methyl-(2,2,2-trifluoroacetyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 165482356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).