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

C9H10ClF3N2O2 — CID 138040505

IUPAC2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)6-4-14-3-5(8(15)16)1-2-7(14)13-6;/h4-5H,1-3H2,(H,15,16);1H
InChIKeyKLSKKVUXNIUZST-UHFFFAOYSA-N
MW270.64 g/mol
LogP1.97
Rot. Bonds1

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

2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride (PubChem CID 138040505) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
PubChem CID138040505
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Name2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)6-4-14-3-5(8(15)16)1-2-7(14)13-6;/h4-5H,1-3H2,(H,15,16);1H
InChIKeyKLSKKVUXNIUZST-UHFFFAOYSA-N
XLogP1.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 125454335
N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]cyclopropanecarboxamide
CID 155902636
2-(2-hydroxyethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153234
2-(3-hydroxypropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153230
2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128226
2-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153259
2-(1-methylpyrrolidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153245
2-[(4-chlorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153410
2-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid
CID 117153323
4-[[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylcarbamoylamino]methyl]benzoic acid
CID 122020711
(2S)-2-phenyl-2-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]acetamide
CID 129341130
2-N-methyl-2-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]furan-2,5-dicarboxamide
CID 129333834

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride (CID 138040505) is 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride?
The InChIKey is KLSKKVUXNIUZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2.ClH/c10-9(11,12)6-4-14-3-5(8(15)16)1-2-7(14)13-6;/h4-5H,1-3H2,(H,15,16);1H.
What are the key properties of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride?
2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride has a molecular weight of 270.64 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 138040505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).