imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)

C12H8F6N2O6 — CID 159608487

IUPACimidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)c1cn2ccccc2n1
InChIInChI=1S/C8H6N2O2.2C2HF3O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6;2*3-2(4,5)1(6)7/h1-5H,(H,11,12);2*(H,6,7)
InChIKeyMMJLHNSMEQSQRD-UHFFFAOYSA-N
MW390.19 g/mol
LogP2.30
Rot. Bonds1

About imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)

imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid) (PubChem CID 159608487) has the molecular formula C12H8F6N2O6 and a molecular weight of 390.19 g/mol. Its IUPAC name is imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Nameimidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
PubChem CID159608487
Molecular FormulaC12H8F6N2O6
Molecular Weight390.19 g/mol
Exact Mass390.03
IUPAC Nameimidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)c1cn2ccccc2n1
InChIInChI=1S/C8H6N2O2.2C2HF3O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6;2*3-2(4,5)1(6)7/h1-5H,(H,11,12);2*(H,6,7)
InChIKeyMMJLHNSMEQSQRD-UHFFFAOYSA-N
XLogP2.30
TPSA129.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.19
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,3,3-trifluoroprop-1-en-2-yl)imidazo[1,2-a]pyridine
CID 175690845
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
imidazo[1,2-a]pyridin-2-yl(phenyl)methanone
CID 14601288
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
6-(imidazo[1,2-a]pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 61319611
N-(aminomethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 66612183
N-methoxyimidazo[1,2-a]pyridine-2-carboxamide
CID 60716999
2-(imidazo[1,2-a]pyridine-2-carbonylamino)propanoic acid
CID 43170854
imidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 19701499
4-fluoro-2-(imidazo[1,2-a]pyridine-2-carbonylamino)benzoic acid
CID 172761884
N-[4-(imidazo[1,2-a]pyridine-2-carbonylamino)cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 171722185
4-(imidazo[1,2-a]pyridine-2-carbonyl)-1-(3-methoxyphenyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 154885622

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid) (CID 159608487) is imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)c1cn2ccccc2n1.
What is the InChIKey of imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is MMJLHNSMEQSQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.2C2HF3O2/c11-8(12)6-5-10-4-2-1-3-7(10)9-6;2*3-2(4,5)1(6)7/h1-5H,(H,11,12);2*(H,6,7).
What are the key properties of imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)?
imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 390.19 g/mol, XLogP of 2.30, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159608487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).