2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid

C11H13F3N2O2 — CID 165493421

IUPAC2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCC(C)(C)Nc1cc(C(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c1-10(2,3)16-8-5-6(9(17)18)4-7(15-8)11(12,13)14/h4-5H,1-3H3,(H,15,16)(H,17,18)
InChIKeyLDHSMBMIVOGNFM-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.01
Rot. Bonds2

About 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid

2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 165493421) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID165493421
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESCC(C)(C)Nc1cc(C(=O)O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c1-10(2,3)16-8-5-6(9(17)18)4-7(15-8)11(12,13)14/h4-5H,1-3H3,(H,15,16)(H,17,18)
InChIKeyLDHSMBMIVOGNFM-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 107853573
6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid
CID 130114973
N-tert-butyl-6-(trifluoromethyl)pyrazin-2-amine
CID 138649119
2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493427
2-tert-butyl-6-(3,3-dimethylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 104828594
2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid;methyl 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylate
CID 162153894
2-tert-butyl-6-(2-methylsulfanylethylamino)pyridine-4-carboxylic acid
CID 113380277
2-(but-3-en-2-ylamino)-6-tert-butylpyridine-4-carboxylic acid
CID 113480077
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 158174130
N,2-dimethyl-6-(trifluoromethyl)pyridine-4-carboxamide
CID 176676959
2-tert-butyl-6-(pent-3-ynylamino)pyridine-4-carboxylic acid
CID 116644346

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid (CID 165493421) is 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid is CC(C)(C)Nc1cc(C(=O)O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is LDHSMBMIVOGNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-10(2,3)16-8-5-6(9(17)18)4-7(15-8)11(12,13)14/h4-5H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid?
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 165493421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).