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

C9H9F3N2O2 — CID 125426405

IUPAC(6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](C(F)(F)F)Cn2ccnc21
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)5-3-6(8(15)16)7-13-1-2-14(7)4-5/h1-2,5-6H,3-4H2,(H,15,16)/t5-,6-/m1/s1
InChIKeyISEMOGUSFGHRTP-PHDIDXHHSA-N
MW234.18 g/mol
LogP1.63
Rot. Bonds1

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

(6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 125426405) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is (6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name(6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID125426405
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name(6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](C(F)(F)F)Cn2ccnc21
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)5-3-6(8(15)16)7-13-1-2-14(7)4-5/h1-2,5-6H,3-4H2,(H,15,16)/t5-,6-/m1/s1
InChIKeyISEMOGUSFGHRTP-PHDIDXHHSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid
CID 125426404
tert-butyl (1S,8R)-3,6,9-triazatricyclo[6.1.1.02,6]deca-2,4-diene-9-carboxylate
CID 176675535
(6R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-6-carboxylic acid
CID 96635834
(6R,7S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-ol
CID 170903146
4-tert-butyl-2-(1-ethylimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 81020914
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 120870990
(2S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 175883801
3-methyl-8-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 165432242
N-[(3S,5R)-3,5-bis(trifluoromethyl)cyclohexyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 51956247
[(6S,7R)-7-amino-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-6-yl]methanol
CID 101185255
2-(2-cyclopropylimidazol-1-yl)acetic acid
CID 82560357
8-pyrimidin-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155866406

Frequently Asked Questions

What is the IUPAC name of (6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of (6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid (CID 125426405) is (6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for (6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for (6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)[C@@H]1C[C@@H](C(F)(F)F)Cn2ccnc21.
What is the InChIKey of (6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is ISEMOGUSFGHRTP-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)5-3-6(8(15)16)7-13-1-2-14(7)4-5/h1-2,5-6H,3-4H2,(H,15,16)/t5-,6-/m1/s1.
What are the key properties of (6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid?
(6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8R)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 125426405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).