quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid

C12H8F3NO4 — CID 69438515

IUPACquinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1cccc2ncccc12
InChIInChI=1S/C10H7NO2.C2HF3O2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9;3-2(4,5)1(6)7/h1-6H,(H,12,13);(H,6,7)
InChIKeyOAVIPMHZTBISLW-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.57
Rot. Bonds1

About quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid

quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 69438515) has the molecular formula C12H8F3NO4 and a molecular weight of 287.19 g/mol. Its IUPAC name is quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namequinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID69438515
Molecular FormulaC12H8F3NO4
Molecular Weight287.19 g/mol
Exact Mass287.04
IUPAC Namequinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1cccc2ncccc12
InChIInChI=1S/C10H7NO2.C2HF3O2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9;3-2(4,5)1(6)7/h1-6H,(H,12,13);(H,6,7)
InChIKeyOAVIPMHZTBISLW-UHFFFAOYSA-N
XLogP2.57
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
7-(trifluoromethyl)quinoline-5-carboxylic acid
CID 617812
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(1-phenylcyclopropyl)-quinolin-5-ylmethanone
CID 81197158
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
5-(3,5-dimethyl-1H-pyrazol-4-yl)quinoline;2,2,2-trifluoroacetic acid
CID 171321151
(2R)-2-amino-2-phenyl-1-quinolin-5-ylethanone
CID 104891139
5-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazole-4-carboxylic acid
CID 135132296
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
5-aminoquinoline-6-carboxylic acid
CID 13221190

Frequently Asked Questions

What is the IUPAC name of quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid (CID 69438515) is quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1cccc2ncccc12.
What is the InChIKey of quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is OAVIPMHZTBISLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2.C2HF3O2/c12-10(13)8-3-1-5-9-7(8)4-2-6-11-9;3-2(4,5)1(6)7/h1-6H,(H,12,13);(H,6,7).
What are the key properties of quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid?
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 287.19 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69438515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).