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

C11H13F3N2O2 — CID 176614050

IUPAC(7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1nc2n(c1C(=O)O)CC[C@@H](C(F)(F)F)C2
InChIInChI=1S/C11H13F3N2O2/c1-2-7-9(10(17)18)16-4-3-6(11(12,13)14)5-8(16)15-7/h6H,2-5H2,1H3,(H,17,18)/t6-/m1/s1
InChIKeyOHINCNVVAISDAC-ZCFIWIBFSA-N
MW262.23 g/mol
LogP2.27
Rot. Bonds2

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

(7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 176614050) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name(7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID176614050
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name(7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCc1nc2n(c1C(=O)O)CC[C@@H](C(F)(F)F)C2
InChIInChI=1S/C11H13F3N2O2/c1-2-7-9(10(17)18)16-4-3-6(11(12,13)14)5-8(16)15-7/h6H,2-5H2,1H3,(H,17,18)/t6-/m1/s1
InChIKeyOHINCNVVAISDAC-ZCFIWIBFSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid (CID 176614050) is (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is CCc1nc2n(c1C(=O)O)CC[C@@H](C(F)(F)F)C2.
What is the InChIKey of (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is OHINCNVVAISDAC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-7-9(10(17)18)16-4-3-6(11(12,13)14)5-8(16)15-7/h6H,2-5H2,1H3,(H,17,18)/t6-/m1/s1.
What are the key properties of (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid?
(7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-ethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 176614050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).