6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid

C11H13F3N2O3 — CID 122047939

IUPAC6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
SMILESCC(COCC(F)(F)F)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H13F3N2O3/c1-7(5-19-6-11(12,13)14)15-9-4-2-3-8(16-9)10(17)18/h2-4,7H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyUJYAXJPLXJKMHY-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.16
Rot. Bonds6

About 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid

6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid (PubChem CID 122047939) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
PubChem CID122047939
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid
SMILESCC(COCC(F)(F)F)Nc1cccc(C(=O)O)n1
InChIInChI=1S/C11H13F3N2O3/c1-7(5-19-6-11(12,13)14)15-9-4-2-3-8(16-9)10(17)18/h2-4,7H,5-6H2,1H3,(H,15,16)(H,17,18)
InChIKeyUJYAXJPLXJKMHY-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-ethoxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 62240918
2,2,2-trifluoroethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 113323737
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
6-(3-methylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240571
6-(pentan-3-ylamino)pyridine-2-carboxylic acid
CID 62253565
6-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 55053417
6-[[1-(2-fluoroethylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057196
6-[[(2S)-butan-2-yl]amino]pyridine-2-carboxamide
CID 123938192
6-(but-3-yn-2-ylamino)pyridine-2-carboxylic acid
CID 114417641
6-[2-(2,2,3,3-tetrafluoropropoxy)ethylamino]pyridine-2-carboxylic acid
CID 122056802
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63644130

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid (CID 122047939) is 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid is CC(COCC(F)(F)F)Nc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid?
The InChIKey is UJYAXJPLXJKMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-7(5-19-6-11(12,13)14)15-9-4-2-3-8(16-9)10(17)18/h2-4,7H,5-6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid?
6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid has a molecular weight of 278.23 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,2,2-trifluoroethoxy)propan-2-ylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).