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

C9H9F3N2O2 — CID 125454335

IUPAC(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)[C@H]1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-4-14-2-1-5(8(15)16)3-7(14)13-6/h4-5H,1-3H2,(H,15,16)/t5-/m0/s1
InChIKeyRBVNAXXBMRDKCS-YFKPBYRVSA-N
MW234.18 g/mol
LogP1.55
Rot. Bonds1

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

(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 125454335) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is (7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID125454335
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)[C@H]1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)6-4-14-2-1-5(8(15)16)3-7(14)13-6/h4-5H,1-3H2,(H,15,16)/t5-/m0/s1
InChIKeyRBVNAXXBMRDKCS-YFKPBYRVSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 83966379
2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
CID 138040505
2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
CID 126796985
2-(thian-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 117155945
7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390431
2-(furan-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 83966369
2-piperidin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 117155961
N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide
CID 155902636
2-(4-methoxy-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 83966376
7-oxido-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 145287300
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 102549339
2-methyl-N-[5-methyl-6-(trifluoromethyl)-3-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 154784069

Frequently Asked Questions

What is the IUPAC name of (7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of (7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid (CID 125454335) is (7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for (7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for (7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is O=C(O)[C@H]1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of (7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is RBVNAXXBMRDKCS-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)6-4-14-2-1-5(8(15)16)3-7(14)13-6/h4-5H,1-3H2,(H,15,16)/t5-/m0/s1.
What are the key properties of (7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid?
(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 234.18 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 125454335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).