6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid

C11H13F3N2O3 — CID 81244294

IUPAC6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCCOCC(F)(F)F)c(C(=O)O)cn1
InChIInChI=1S/C11H13F3N2O3/c1-7-4-9(8(5-16-7)10(17)18)15-2-3-19-6-11(12,13)14/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyISOVFMZUVHTXEJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.08
Rot. Bonds6

About 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid

6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid (PubChem CID 81244294) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid
PubChem CID81244294
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid
SMILESCc1cc(NCCOCC(F)(F)F)c(C(=O)O)cn1
InChIInChI=1S/C11H13F3N2O3/c1-7-4-9(8(5-16-7)10(17)18)15-2-3-19-6-11(12,13)14/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyISOVFMZUVHTXEJ-UHFFFAOYSA-N
XLogP2.08
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoic acid
CID 63828854
4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114942705
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
CID 81232269
5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-2-carboxylic acid
CID 115490932
6-amino-4-[2-(trifluoromethoxy)ethylamino]pyridine-3-carboxylic acid
CID 152736749
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
5-nitro-2-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoic acid
CID 60731028
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid (CID 81244294) is 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid is Cc1cc(NCCOCC(F)(F)F)c(C(=O)O)cn1.
What is the InChIKey of 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is ISOVFMZUVHTXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7-4-9(8(5-16-7)10(17)18)15-2-3-19-6-11(12,13)14/h4-5H,2-3,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid?
6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 278.23 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).