2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

C9H10F3N3O2 — CID 165483981

IUPAC2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNc1nc2n(c1C(=O)O)CC(C(F)(F)F)CC2
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)4-1-2-5-14-7(13)6(8(16)17)15(5)3-4/h4H,1-3,13H2,(H,16,17)
InChIKeyGZQGSNUFGWAACU-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.29
Rot. Bonds1

About 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid

2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 165483981) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID165483981
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESNc1nc2n(c1C(=O)O)CC(C(F)(F)F)CC2
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)4-1-2-5-14-7(13)6(8(16)17)15(5)3-4/h4H,1-3,13H2,(H,16,17)
InChIKeyGZQGSNUFGWAACU-UHFFFAOYSA-N
XLogP1.29
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]propanoic acid
CID 83964829
3-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 70575756
N-[[(6R)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopentanecarboxamide
CID 129353183
2-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 81250629
2-methyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 81251565
5-amino-6-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 114271967
2-(2-oxo-1,3-oxazolidin-3-yl)-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 119104829
1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 81250271
3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68960717
5-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentan-1-amine
CID 81250491
2-fluoro-6-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 81498108
4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentan-1-amine
CID 104687010

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 165483981) is 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is Nc1nc2n(c1C(=O)O)CC(C(F)(F)F)CC2.
What is the InChIKey of 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is GZQGSNUFGWAACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)4-1-2-5-14-7(13)6(8(16)17)15(5)3-4/h4H,1-3,13H2,(H,16,17).
What are the key properties of 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 165483981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).