2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid

C10H11F3N2O2 — CID 81051889

IUPAC2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCC(F)(F)F)c(C(=O)O)c(C)n1
InChIInChI=1S/C10H11F3N2O2/c1-5-3-7(14-4-10(11,12)13)8(9(16)17)6(2)15-5/h3H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBLKAUWHHMQGCEG-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.37
Rot. Bonds3

About 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid

2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid (PubChem CID 81051889) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
PubChem CID81051889
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NCC(F)(F)F)c(C(=O)O)c(C)n1
InChIInChI=1S/C10H11F3N2O2/c1-5-3-7(14-4-10(11,12)13)8(9(16)17)6(2)15-5/h3H,4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBLKAUWHHMQGCEG-UHFFFAOYSA-N
XLogP2.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
4-[(3-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053855
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
4-[(1-ethylcyclopropyl)methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 114102024
4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052279
2,6-dimethyl-4-(thiolan-2-ylmethylamino)pyridine-3-carboxylic acid
CID 81053777
4-[(2-ethyl-4-hydroxybutyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053541
4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81037398
2-[[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 115430208
2,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 81052352

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid (CID 81051889) is 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid is Cc1cc(NCC(F)(F)F)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid?
The InChIKey is BLKAUWHHMQGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5-3-7(14-4-10(11,12)13)8(9(16)17)6(2)15-5/h3H,4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81051889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).